data_2lk4_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lk4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 t0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 65.21 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -102.29 17.61 23.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.906 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -93.15 -33.72 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.04 111.095 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -88.48 0.51 56.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.912 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -85.1 -57.2 3.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 65.22 110.909 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.82 -49.49 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 72.01 110.876 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 p -52.23 -28.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -62.45 -38.17 88.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.6 -31.16 71.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.39 -50.08 35.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -54.36 -26.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.163 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 -48.86 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -24.02 67.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.097 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -91.46 -18.73 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.137 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 tp -81.74 -26.34 34.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.942 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -73.07 -33.02 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.878 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.89 -2.39 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -89.68 -19.79 24.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.68 -25.46 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.01 110.845 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -80.52 -6.21 57.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.2 110.888 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.83 -41.36 61.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.89 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -97.42 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 62.12 110.83 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.54 -72.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 72.45 110.924 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.95 159.36 31.65 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 74.4 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.11 22.47 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 72.03 112.365 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -17.32 37.94 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.696 2.264 . . . . 71.5 112.375 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -62.74 -31.9 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.893 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.37 -21.08 42.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 72.55 112.491 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.93 -27.74 60.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.952 0.406 . . . . 71.35 110.912 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -53.64 -28.89 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.42 111.109 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -87.81 -24.32 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.01 111.097 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.78 -42.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.144 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.86 -25.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.33 111.164 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -55.31 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.904 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -70.16 -11.63 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.07 -24.29 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.25 111.109 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.05 -10.51 29.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 75.24 112.516 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -91.32 -4.03 56.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 64.45 110.921 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.34 -25.12 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.165 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 pp -87.2 -42.85 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.904 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.42 -16.2 61.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -33.1 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.03 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -26.21 37.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.1 mt -59.92 -30.32 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.31 111.116 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.91 -2.21 76.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 73.42 112.481 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -31.36 16.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 74.51 110.845 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.6 t -87.31 -25.4 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 65.35 111.161 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.98 -28.11 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.835 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.5 -27.21 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.861 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.16 -12.86 42.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.953 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 mt -51.37 -58.86 9.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 74.03 110.945 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.8 -6.22 18.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 72.42 112.344 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -104.74 21.06 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.848 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -129.55 160.35 64.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 62.23 110.923 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 75.45 112.316 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -107.77 53.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.91 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -144.94 -42.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -87.64 -19.03 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.863 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -53.21 -38.29 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.889 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -20.49 33.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.141 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -85.81 -48.62 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.865 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.6 mt -69.58 -56.76 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 64.32 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -15.53 58.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.901 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.26 -20.87 16.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 74.24 112.521 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.1 m -96.0 -42.59 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 74.24 111.128 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.99 -16.54 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 75.14 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -37.75 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.06 -16.7 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.959 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 tp -59.51 -22.98 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.54 110.913 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -95.31 4.48 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.933 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -107.27 -23.27 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -66.62 -20.21 65.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.7 -15.47 14.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.879 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.66 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 71.43 111.136 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -89.47 -26.06 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 75.33 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.7 tp -72.03 -49.86 33.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 72.13 110.935 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.3 mt -65.85 -47.79 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.44 111.123 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -56.61 -25.48 53.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.898 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.43 -22.77 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.914 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.7 tpp -71.07 -55.1 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 70.3 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.16 -15.0 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.9 tp -98.09 -25.54 14.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.923 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.6 -52.04 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 75.2 111.106 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.65 -18.93 65.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.72 155.27 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.915 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -73.99 75.86 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.869 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.02 129.11 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 74.35 111.116 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.4 t -105.42 75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.119 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.5 t -156.82 156.56 33.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 71.21 111.192 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.38 -31.27 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.832 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.39 -25.49 49.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.922 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.6 t -53.93 -28.18 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 63.14 110.852 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -81.83 -40.83 21.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.851 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -68.95 -27.73 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.906 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 -4.46 44.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.101 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.83 -33.09 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.51 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -86.48 -24.23 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.878 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -73.2 -46.49 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.45 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.0 ptp -51.91 -39.42 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.897 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.45 -35.22 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.926 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -21.18 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.105 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.17 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 74.33 111.102 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.85 -56.71 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 65.32 110.854 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -52.01 -30.61 26.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.863 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.6 m -53.51 -41.0 65.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.8 -25.78 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.945 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -92.3 -45.12 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.091 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.9 t -57.16 -34.12 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 72.41 111.123 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -85.94 -4.73 59.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.929 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.62 -34.89 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.106 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -58.15 -34.48 70.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.884 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -82.42 -18.27 42.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.871 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.28 -34.69 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.929 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.36 -30.06 70.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.917 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -95.6 -26.05 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.886 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.87 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.098 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.0 t -65.16 -32.78 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.106 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.2 -25.64 47.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 65.25 110.851 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.42 -21.55 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 75.11 110.886 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.43 -37.6 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 65.42 111.086 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.8 -45.23 71.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.74 -32.08 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.21 111.093 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.69 -27.03 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.934 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 64.44 111.089 179.784 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.815 0.341 . . . . 62.32 110.82 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.34 -29.65 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.936 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.43 -25.85 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.112 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -21.82 18.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.908 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.93 -20.09 61.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -98.84 -46.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.876 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -53.11 -27.72 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.107 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -45.16 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 75.55 110.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.09 -22.93 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.873 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.1 tp -79.35 -56.31 4.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 75.02 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -65.49 -21.57 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.103 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -88.59 -21.28 24.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.43 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 65.2 111.114 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.5 p -93.21 -14.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.24 111.119 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.4 tp -85.29 -25.96 26.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.44 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.42 -27.35 60.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.58 -1.71 57.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -90.8 -11.85 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.86 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -111.88 -24.17 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.87 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.45 12.96 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 62.54 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -38.3 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 72.55 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -105.53 39.57 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.98 11.25 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 pp -179.66 156.33 0.79 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.706 . . . . 72.54 110.923 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.4 21.75 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.258 . . . . 74.21 112.32 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -8.0 22.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 64.32 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.68 -22.68 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 64.32 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.39 3.04 57.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 74.52 112.496 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -108.6 -26.35 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 74.33 110.921 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.24 -26.74 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 74.41 111.167 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 t -93.15 -20.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 70.25 111.128 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -75.07 -37.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 74.11 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.82 -23.85 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 75.33 111.117 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -54.06 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.851 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.82 -23.31 61.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 71.41 110.903 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.0 t -81.17 -24.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.078 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.32 -13.49 24.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.34 112.52 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -83.37 -10.84 58.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 71.33 110.873 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -52.39 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.51 111.163 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 pp -56.83 -49.17 76.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.943 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -64.98 -14.41 60.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.88 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -91.17 -28.28 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.851 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.94 -31.78 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.91 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.02 -26.55 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 75.31 111.129 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.54 -1.82 78.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 70.33 112.528 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.4 -33.73 8.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 74.11 110.838 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.5 t -88.43 -29.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 73.33 111.13 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.71 -38.1 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -27.05 63.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.866 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.7 mt -98.13 16.58 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.2 mt -51.61 -58.98 8.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 74.53 110.953 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 74.32 112.373 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 t -84.0 -6.48 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.02 110.857 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.84 159.99 61.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 73.52 110.881 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 159.36 53.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.262 . . . . 75.55 112.342 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -57.78 -23.32 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.834 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 t -50.8 -38.49 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.841 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -112.24 -27.67 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 75.45 110.87 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -51.06 -57.6 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.849 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -57.68 -21.7 41.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 111.125 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -84.03 -35.88 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.8 mt -70.93 -48.95 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.143 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -56.47 -29.62 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.849 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.11 -37.77 6.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 55.41 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.2 m -70.16 -52.32 24.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.731 0.301 . . . . 73.53 111.176 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -63.23 -22.51 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.91 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.68 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.56 -15.49 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.0 -25.45 63.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.918 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.53 4.85 53.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -111.19 -21.59 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.942 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.0 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.872 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.89 -20.36 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.923 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.03 -29.91 65.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.106 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -90.91 -31.82 16.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.871 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.75 -51.42 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.925 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.5 mt -60.13 -40.77 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 71.52 111.149 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.16 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.925 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -19.78 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.913 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 26.5 tpp -75.39 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.886 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -21.78 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp -94.64 -28.5 15.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.95 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.48 -42.84 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.14 111.086 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -108.5 28.78 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.58 167.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.922 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.96 -35.16 66.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.56 109.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 55.14 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.3 56.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 71.25 111.102 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.7 t -93.43 172.83 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.107 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -96.75 29.0 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.876 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 tt -115.7 -23.76 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.946 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.1 -40.2 60.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.21 -40.86 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.53 -34.57 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.51 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.85 -24.98 64.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 72.54 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -57.2 -61.87 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -65.17 -28.68 69.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.41 -28.14 63.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.5 ttp -67.23 -55.11 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.4 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.11 -24.58 55.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -68.0 -22.6 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.103 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -90.83 -36.65 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 61.14 111.077 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 98.1 p -56.48 -53.87 52.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 73.33 110.846 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -56.1 -25.05 44.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.1 m -62.54 -17.81 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.137 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -83.27 -25.86 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.29 -36.41 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.23 111.105 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.56 -29.24 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.45 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -85.87 -32.91 21.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 64.04 110.889 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.15 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.086 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.86 -48.14 26.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.77 -24.44 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -84.24 -44.19 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.868 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.3 tp -54.02 -26.97 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.939 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -88.18 -26.5 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.51 110.877 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.64 -50.04 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.5 m -69.34 -31.61 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 72.1 111.109 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -56.5 -43.88 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.871 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -75.08 -27.7 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.31 110.924 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.81 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.04 111.066 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -64.38 -24.87 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.901 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 83.3 t -82.6 -39.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.128 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.8 mt -78.62 -24.96 45.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 62.33 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.08 179.792 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.876 0.369 . . . . 74.52 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -134.26 6.83 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.926 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 m -93.32 -16.79 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 62.32 111.127 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -95.01 -15.7 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.957 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -79.48 -25.02 41.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 75.55 110.951 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -91.66 -43.61 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.904 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.66 -28.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.139 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.3 tpp -72.26 -42.97 65.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.872 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 75.51 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.78 -54.38 32.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -49.53 -51.31 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.131 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -66.32 -24.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.22 -29.15 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 74.13 111.084 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.24 -18.2 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.123 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -20.01 58.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 70.22 110.887 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.23 -25.68 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.929 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pp -93.06 -1.04 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.881 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -91.18 -49.52 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 65.25 110.842 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -75.84 -25.46 56.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 65.41 110.882 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -86.97 0.35 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 62.21 110.927 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.947 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -98.89 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.869 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -138.72 -74.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.52 159.19 64.7 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.644 0.735 . . . . 74.51 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.53 21.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 72.23 112.339 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.59 23.98 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 71.21 112.373 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -89.83 -11.59 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.28 -10.57 54.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 71.12 112.502 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.97 -33.62 22.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 73.14 110.892 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 p -50.7 -39.37 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 71.04 111.12 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.61 -33.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.1 t -70.07 -35.13 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 65.42 111.125 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.08 -25.06 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 71.52 111.143 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -57.94 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -71.51 -10.43 59.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.892 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.02 -23.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.21 111.126 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.83 -21.27 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 71.33 112.455 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.01 -1.45 48.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 74.53 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.69 -49.21 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 74.14 111.135 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.5 -50.53 71.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -64.81 -14.62 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 75.55 110.846 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -91.28 -26.65 18.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.897 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.59 -29.24 15.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.2 mt -56.22 -28.8 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.21 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.27 -8.13 83.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 64.22 112.512 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.38 -27.18 13.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 75.43 110.849 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t -92.62 -24.46 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.4 111.16 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -73.95 -35.77 64.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.878 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -76.18 -7.29 54.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.856 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.5 6.67 17.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.945 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -54.13 -57.79 16.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 74.23 110.936 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.76 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 63.01 112.362 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -92.53 -2.46 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 63.3 110.836 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.27 160.23 61.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 74.35 110.885 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 172.0 13.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 74.12 112.297 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.34 -31.07 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.856 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.2 t -51.55 -30.6 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 73.52 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 p -111.62 -29.93 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.898 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.5 ttp85 -51.34 -53.25 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.904 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -59.29 -28.6 66.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 73.33 111.158 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -73.75 -60.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 63.43 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mt -50.9 -54.36 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.02 111.128 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -21.56 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.886 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.49 -15.66 46.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.51 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -44.12 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 73.15 111.157 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -64.76 -15.05 61.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 60.34 110.954 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -41.33 12.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.26 -19.54 50.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.939 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.75 -28.55 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.05 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -90.05 4.38 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.882 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -108.7 -19.6 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.26 -17.64 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 70.24 110.829 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.21 -18.9 13.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.85 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 65.51 111.105 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -86.38 -32.28 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.21 -52.44 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.932 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.21 -51.5 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 61.24 111.162 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.42 -27.29 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.51 110.926 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -88.45 -21.6 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.876 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 28.1 mmm -68.96 -66.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.917 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -23.49 30.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.9 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.6 tp -87.91 -24.4 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.893 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.21 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 71.44 111.111 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -18.75 65.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 62.43 110.875 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.69 143.02 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.946 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -75.39 72.89 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.0 139.36 30.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 71.24 111.097 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.75 45.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.108 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.0 t -126.3 25.19 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.51 111.161 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 58.09 43.86 20.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.849 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.3 mt -125.59 25.78 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.896 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.8 t -88.95 -31.34 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -84.77 -33.82 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 70.23 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.75 -42.04 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 71.11 110.886 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.28 -26.09 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 70.44 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.34 110.916 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -57.74 -39.1 76.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.891 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -67.39 -25.26 65.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.916 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.7 ttm -68.29 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.879 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.94 -27.36 66.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.92 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.4 m -67.17 -24.64 65.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 70.04 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.21 -40.55 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.04 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -57.9 -53.46 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.864 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.55 -27.04 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.1 m -58.25 -29.44 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.104 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.74 -23.9 61.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.938 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -94.41 -44.39 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 75.01 111.096 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.2 p -57.84 -26.67 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.42 111.123 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.07 -9.19 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.876 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.26 -18.63 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.118 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -76.22 -59.43 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.934 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -51.72 -29.69 19.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.22 -41.61 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.92 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 tp -52.82 -30.86 35.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.933 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.23 -27.43 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.86 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.38 -57.28 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.074 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.13 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 74.5 111.111 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -51.68 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 72.52 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.18 -39.33 78.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.3 -35.51 65.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.21 111.102 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -24.34 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.97 -27.79 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.11 111.125 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.86 -25.27 28.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.939 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 63.15 111.085 179.808 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.863 0.363 . . . . 72.5 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.33 25.05 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.878 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.22 -19.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 71.34 111.139 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.1 -33.93 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.52 110.911 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.2 -29.13 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.907 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -96.72 -55.43 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 64.44 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.82 -30.84 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 70.24 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.6 ttp -60.69 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 72.25 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.68 -30.98 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tp -67.56 -45.58 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.955 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.94 -21.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.142 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.78 -52.65 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.908 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.36 64.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 75.01 111.112 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -83.15 -10.89 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.161 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.36 -26.51 21.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.908 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -71.2 -43.05 68.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 54.41 110.929 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 pp -61.83 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -60.33 -20.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.902 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -101.18 -16.51 17.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.837 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -89.64 9.97 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -38.28 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 64.42 110.898 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.7 t -116.06 28.16 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.837 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.34 -40.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -115.41 159.21 39.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 73.11 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.68 23.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 71.51 112.386 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.67 20.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.276 . . . . 73.43 112.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -52.73 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.876 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.64 -30.67 14.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 43.12 112.483 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -45.89 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 71.44 110.965 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.66 -18.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 75.31 111.083 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.62 -22.47 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.03 111.186 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.6 t -89.08 -40.92 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 62.02 111.154 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.37 -24.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 75.32 111.145 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -55.85 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 70.11 110.889 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -67.62 -21.81 65.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 72.03 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.6 t -79.94 -26.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 64.5 111.124 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -9.24 32.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 71.41 112.475 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.11 -8.84 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 73.42 110.887 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.53 -47.1 14.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 65.25 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 pp -61.13 -48.11 83.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.955 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -12.39 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.846 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -94.51 -26.93 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -95.54 -23.62 17.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.896 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mt -53.95 -31.86 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.35 111.139 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.44 -20.79 70.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 63.43 112.505 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.0 p -73.38 -45.77 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 74.42 110.872 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.33 -16.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 75.34 111.12 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.08 -26.04 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 64.11 110.858 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.7 -29.18 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.881 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.39 18.94 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 72.11 110.904 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -50.42 -58.22 10.55 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.596 0.712 . . . . 74.11 110.905 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.82 -6.64 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 73.54 112.348 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -92.03 13.98 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' HB3' ' HD2' ' A' ' 62' ' ' PRO . 11.1 mt -103.79 154.62 37.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 75.44 110.927 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.74 179.21 3.84 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 65.21 112.332 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.83 64.24 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.829 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -168.51 -49.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.14 110.858 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -26.64 22.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 73.44 110.856 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -56.89 -45.21 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.24 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -19.29 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 70.33 111.135 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -78.2 -60.23 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 71.11 110.909 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.65 -51.52 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.09 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.01 -24.06 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.914 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 -10.15 47.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 74.34 112.54 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.6 m -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 72.51 111.111 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.12 -27.19 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.943 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -42.25 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.848 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.15 -17.06 58.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 75.01 110.934 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.58 -25.63 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.935 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -90.24 4.79 49.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 70.24 110.908 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -107.64 -22.78 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 71.41 110.913 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.47 -18.3 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.854 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.19 -17.64 13.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.901 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.77 65.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.3 111.082 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.99 -31.27 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 74.41 110.896 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.1 -50.55 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.926 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.8 mt -64.05 -55.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.107 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -52.03 -47.39 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.922 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -65.97 -24.17 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.919 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -68.88 -65.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.874 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -54.45 -27.1 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -78.37 -30.08 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.8 -55.49 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.33 111.079 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -57.35 -23.92 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.888 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.92 141.16 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.912 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -69.92 84.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.914 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.69 95.54 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.13 111.106 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.32 -24.96 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.25 111.136 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -52.58 144.66 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 70.11 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.67 -23.65 52.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.887 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.29 -28.29 27.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.932 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -50.63 60.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.886 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -55.24 -41.77 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 74.24 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 73.54 110.88 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.39 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.22 111.072 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -30.09 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.34 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -96.32 -25.7 15.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.53 110.832 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.17 -26.24 66.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.4 ptm -72.35 -35.33 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.838 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.5 tt -77.64 -21.13 52.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.967 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.8 m -77.09 -20.36 55.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 63.31 111.117 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.0 -26.15 21.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 73.54 111.108 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 94.5 p -61.04 -54.76 40.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 75.24 110.863 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.38 -26.2 39.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.849 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.5 m -59.8 -20.89 59.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.35 111.153 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.98 -24.06 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.5 110.93 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.22 -48.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.158 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.37 -29.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 61.4 111.082 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.25 -44.32 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.891 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.49 -26.46 63.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.114 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.28 -42.73 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 64.04 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.52 -27.66 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.67 -29.83 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 72.25 110.961 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.28 -24.71 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 74.54 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.73 -42.48 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 71.3 110.858 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.98 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.5 -25.11 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.11 111.134 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -54.77 -31.36 58.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.835 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -95.74 -38.53 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.55 111.068 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -27.53 69.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.876 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.31 -41.33 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.117 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.6 mt -75.66 -29.5 59.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.868 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.085 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.818 0.342 . . . . 74.54 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -131.34 4.45 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.937 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.34 -6.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.143 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -95.07 -8.34 36.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.916 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.52 -49.56 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.902 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -68.02 -22.86 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -80.26 -29.07 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.32 111.144 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.4 ttp -69.7 -30.78 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 75.42 110.845 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.32 -52.28 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.901 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.9 t -52.34 -28.75 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.17 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -36.49 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 73.35 110.842 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.71 -22.5 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 72.33 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.44 -18.84 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 63.34 111.084 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.88 -30.03 28.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.72 -31.76 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -81.64 -11.9 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 74.3 110.904 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -76.85 -62.75 1.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 65.25 110.919 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.66 -18.82 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.854 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.41 -18.84 59.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -38.76 40.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.51 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -99.37 42.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -153.22 -74.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 74.15 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.43 159.26 61.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 75.15 110.913 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.39 21.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 72.31 112.343 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 75.44 112.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -95.03 24.08 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 71.43 110.837 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -120.92 -16.84 4.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 65.15 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -95.1 -21.05 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 74.54 110.915 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 p -51.51 -34.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.34 111.152 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.23 -23.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 65.14 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.8 t -78.14 -35.67 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.4 t -53.35 -27.56 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.25 111.143 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -57.54 9.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.908 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.45 -37.66 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.903 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.82 -26.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 65.22 111.125 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.27 -9.96 30.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 61.31 112.491 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.05 -16.21 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 74.34 110.881 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 m -76.49 -43.89 37.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.153 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.44 -48.13 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 74.03 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.49 -12.48 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.4 110.84 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.63 -30.52 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.859 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -91.35 -21.12 21.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -55.22 -31.93 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 64.23 111.141 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.13 -14.58 71.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.507 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.69 -38.42 39.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 75.1 110.821 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 t -83.92 -25.78 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.67 -24.97 65.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.914 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.8 -17.06 61.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 pp -116.89 -13.14 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.03 110.895 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 tp -48.99 -57.96 9.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 71.03 110.899 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.77 -8.26 23.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.716 2.277 . . . . 73.5 112.356 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.3 t -101.68 18.55 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.826 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -105.38 160.6 25.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 75.01 110.91 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 75.31 112.307 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.4 p -77.07 67.48 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 t -168.69 -53.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.893 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -96.01 22.53 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.851 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -89.15 -43.74 10.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.855 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -64.57 -23.26 67.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 65.43 111.131 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.02 -59.33 4.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.77 -46.78 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.03 111.173 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -52.58 -35.56 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.865 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.59 -37.84 7.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.471 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.5 m -61.59 -52.51 64.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 70.43 111.135 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.37 -21.52 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -48.5 11.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.52 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -13.83 61.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.894 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.62 -16.35 56.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.929 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -101.14 5.95 42.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -106.32 -33.47 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.951 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.86 -27.37 29.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.02 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.44 -14.69 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 62.52 110.962 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.06 -32.79 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 64.04 111.078 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.96 -30.76 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 tp -65.82 -49.86 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 72.13 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.61 -49.72 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.11 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.09 -35.74 75.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.912 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -72.09 -25.44 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.2 tpp -72.66 -56.39 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 54.41 110.83 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -60.46 -19.12 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -97.78 -22.27 16.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.928 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.52 -58.33 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.09 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -82.6 1.25 39.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.925 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -51.61 161.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.922 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.25 84.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 75.33 110.908 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -117.15 -40.82 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.089 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t 52.27 70.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.178 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.3 m -160.94 149.42 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 73.41 111.149 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -58.79 -27.04 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 65.12 110.875 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.1 tp -55.83 -26.79 48.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.897 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.1 t -53.82 -28.02 32.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.865 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.87 -33.29 49.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.88 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.26 -48.29 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 62.42 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.01 46.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 55.22 111.125 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -69.72 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 73.54 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -56.96 -41.61 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -58.62 -31.71 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ttp -63.0 -50.46 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.848 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 tp -57.98 -27.02 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 73.14 110.94 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 m -76.51 -11.82 59.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 75.5 111.12 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.32 -43.19 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.32 111.031 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -52.98 62.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 64.53 110.858 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -56.2 -25.83 48.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.4 110.837 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.7 m -60.9 -17.3 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 71.51 111.131 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 mp -83.92 -24.28 30.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 72.55 110.909 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.34 -37.33 10.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.01 111.106 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.9 m -50.7 -29.9 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.02 111.102 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -80.07 -44.74 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.879 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.36 -34.81 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.11 111.055 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -68.16 -36.66 80.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 72.24 110.866 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -78.87 -23.65 44.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.894 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -83.36 -39.27 20.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.5 110.87 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.56 -62.46 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -55.98 -25.29 43.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.847 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.72 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.051 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 93.0 t -81.55 -25.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 73.34 111.086 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -59.55 -53.61 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 70.44 110.863 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -76.55 -33.07 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.938 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.77 92.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.14 111.15 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -24.44 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.898 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.37 -40.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 62.54 111.075 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 60.01 111.108 179.73 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 74.51 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.12 14.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -93.4 -19.73 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.134 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -94.2 -5.45 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.951 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -96.15 -49.02 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 75.44 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -72.13 -22.56 61.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.868 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 p -78.38 -26.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 62.43 111.119 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.2 ttp -65.17 -47.82 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 70.33 110.838 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.18 -33.69 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.8 tp -68.02 -49.87 58.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.889 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -67.8 -23.68 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 75.23 111.087 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -82.65 -52.6 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.61 -35.45 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.094 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 p -79.41 -34.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.117 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -25.69 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.922 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.64 -54.02 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.874 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -21.14 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.924 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -58.13 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.912 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.18 -16.95 60.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 75.54 110.885 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -88.23 7.94 29.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.88 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -33.79 76.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 63.54 110.917 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -121.77 26.08 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 63.01 110.856 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -134.73 6.5 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 70.14 110.868 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.6 mt -154.78 155.11 30.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.619 0.723 . . . . 64.42 110.921 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.76 20.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 62.12 112.344 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -12.21 32.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.686 2.257 . . . . 72.34 112.388 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -85.26 -17.21 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.875 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.47 -11.13 72.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 71.53 112.489 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -85.64 -38.06 18.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 73.53 110.917 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.59 -25.99 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 64.11 111.106 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 m -87.49 -23.28 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.13 111.116 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.15 -42.96 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.134 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t -50.12 -29.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.138 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -51.99 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.903 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -78.42 -3.68 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.2 t -95.71 -27.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 71.34 111.163 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.62 -15.77 16.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 52.13 112.46 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -84.56 -8.38 58.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.891 0.376 . . . . 74.23 110.908 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -82.14 -47.67 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.33 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 75.34 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -67.09 -11.98 58.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.87 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -95.64 -34.22 12.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.02 110.959 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -86.58 -26.95 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.94 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mt -54.73 -31.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 64.42 111.088 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.78 66.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 63.23 112.472 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 p -81.37 -38.19 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 74.44 110.86 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.11 -46.52 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.04 111.167 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.74 -30.56 61.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 65.23 110.849 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.73 -23.68 53.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.829 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.04 12.45 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 62.12 110.908 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.76 -58.81 8.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.6 0.714 . . . . 75.42 110.881 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -7.36 20.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 73.33 112.35 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 m -87.86 -4.89 58.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.862 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -131.28 159.89 69.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 74.32 110.899 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.78 162.84 40.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 52.45 112.35 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p -57.43 -24.57 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.35 110.889 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -56.81 -25.33 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.54 110.858 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 m -112.26 -19.67 12.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.873 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.91 -65.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.883 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -55.7 -24.04 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.41 111.136 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.42 -56.65 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.89 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.3 mt -65.25 -52.69 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.42 111.13 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -29.94 23.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.898 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.32 -34.35 8.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 62.14 112.485 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.7 m -70.65 -55.68 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 74.11 111.154 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -59.96 -20.53 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.924 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -46.99 29.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 73.14 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -7.04 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 72.22 110.933 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.86 -14.22 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.894 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -102.17 3.41 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.895 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.44 -16.69 12.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 54.14 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -74.1 -13.03 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.847 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.03 -21.04 12.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.882 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.32 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.131 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -77.82 -26.03 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 72.41 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -70.91 -61.75 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.878 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.39 -43.49 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 73.35 111.118 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.68 -57.68 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.938 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -59.69 -20.76 58.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.883 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -65.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 63.42 110.861 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.97 -25.48 58.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -87.29 -19.63 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.5 83.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.55 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.47 20.62 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 54.24 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.64 153.72 31.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.62 77.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.846 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.32 160.43 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.54 111.098 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.41 -16.71 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.13 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -92.38 16.23 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 61.5 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t 50.7 47.37 24.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.2 110.858 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.3 tt -76.5 -23.93 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.1 p -51.94 -30.88 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.868 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -60.21 -35.21 74.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 55.45 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -86.96 -36.31 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.25 -26.14 67.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.114 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -64.14 -37.55 87.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.877 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -86.86 -19.55 28.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.24 110.848 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -85.67 -17.59 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.858 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 ptp -86.75 -22.46 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.53 110.908 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.51 -24.08 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.933 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -74.32 -18.66 60.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 63.31 111.168 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.61 -39.75 13.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 71.11 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 m -54.86 -45.38 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.888 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -61.0 -27.14 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.4 m -59.91 -22.07 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 64.24 111.131 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.6 mp -80.29 -23.18 40.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.12 -42.23 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.11 111.144 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.1 p -50.87 -30.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.35 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -84.5 -33.14 23.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.86 -13.14 62.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.113 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -92.14 -27.22 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.35 110.862 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.32 -20.44 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.89 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -80.28 -39.35 29.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.898 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.07 -29.9 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.926 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -78.83 -47.44 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.857 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.16 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 55.1 111.127 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.11 -26.9 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.33 111.155 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.22 -36.86 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 75.11 110.902 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.66 -38.1 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.934 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.94 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.14 111.097 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.4 -24.63 63.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.81 -40.2 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.134 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.8 mt -74.01 -21.66 59.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 64.43 110.932 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 64.22 111.105 179.767 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 73.02 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -83.1 -9.5 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 65.12 110.907 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -54.56 -48.39 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.168 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -80.96 -1.1 42.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.01 -26.48 16.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.03 110.947 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -95.1 -19.07 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.53 -26.74 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.128 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.7 ttm -60.01 -57.9 10.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -51.35 -41.32 60.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 74.55 110.881 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.24 -58.67 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.959 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.85 -21.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.126 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.94 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.851 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.61 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.101 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -93.23 -9.09 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.34 111.181 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.16 -28.01 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.929 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.91 -27.09 61.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 pp -86.13 -2.77 58.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.5 110.909 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -86.04 -62.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.909 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.85 -24.69 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.904 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -93.83 19.13 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.859 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -74.02 -26.8 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -110.25 22.12 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.821 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -118.62 -16.94 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.905 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.66 157.76 74.44 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 73.5 110.89 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.28 19.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 75.45 112.327 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.29 30.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 75.24 112.364 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -91.31 14.54 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.938 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.05 -16.2 5.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 74.25 112.485 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -91.64 -30.32 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 75.4 110.956 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.15 -37.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 72.14 111.153 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.91 -24.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.03 111.113 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.69 -29.96 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 73.03 111.16 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -51.68 -29.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 75.22 111.101 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -52.46 17.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.907 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -67.56 -22.58 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.911 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.9 t -87.23 -25.62 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.12 111.135 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.44 3.67 37.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 70.43 112.478 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -92.01 -22.06 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.368 . . . . 75.14 110.894 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -86.61 -39.19 16.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.099 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -14.05 61.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.03 110.886 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -98.51 -21.02 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.882 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -84.04 -39.24 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.59 -26.32 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.922 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.18 -29.46 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.2 111.124 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.53 -8.56 87.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 74.14 112.472 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 p -91.82 -29.62 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 75.03 110.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 t -97.18 -28.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 72.41 111.125 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.89 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.891 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -79.24 -25.77 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -0.47 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.902 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -48.71 -58.97 7.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.66 0.743 . . . . 65.54 110.924 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 73.22 112.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.5 m -112.01 32.66 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mt -118.24 159.23 44.16 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 73.44 110.937 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.31 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.4 65.16 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -174.85 -70.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 75.2 110.837 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.63 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.846 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -56.28 -25.89 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.827 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.97 -24.3 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.149 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.19 -58.76 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.45 -51.65 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.119 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -53.7 -28.22 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.892 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.57 -12.44 53.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 50.23 112.466 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.0 m -92.32 -57.15 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.694 0.283 . . . . 73.23 111.143 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -51.38 -32.56 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.893 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.89 79.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -13.72 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.916 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 tp -71.08 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.925 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -101.06 4.4 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.52 10.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.923 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -16.47 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.859 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.97 -21.04 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 75.42 110.866 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.92 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.094 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -88.56 -32.43 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.3 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.9 -53.98 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 70.14 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.7 mt -59.45 -36.41 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 74.23 111.146 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.34 -40.56 89.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.947 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.89 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 51.6 mmm -71.02 -64.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -55.76 -24.17 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.857 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -90.57 -21.7 21.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.85 -49.15 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.098 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 25.69 4.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.955 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.92 158.03 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.927 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.06 82.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -121.49 113.11 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.107 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.22 -26.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.52 111.139 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 t -68.43 163.1 24.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.125 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.3 p -90.94 48.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.919 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.4 tt -95.84 -23.17 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.931 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.4 t -51.91 -30.37 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.835 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -55.3 -48.11 74.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 72.1 110.888 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.69 -34.28 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.86 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.49 -15.17 60.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 61.4 111.124 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.48 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.917 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -33.52 11.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.45 110.861 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.34 -31.6 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 54.02 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ttm -61.32 -58.36 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.885 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.45 -26.83 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.3 m -60.83 -25.65 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.1 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.3 -42.2 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.41 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.16 -52.6 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 70.25 110.895 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -55.62 -31.7 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.83 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.6 m -52.81 -42.98 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 74.32 111.128 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -54.75 -27.26 39.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.918 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.1 -35.09 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.22 111.088 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.47 -29.45 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.13 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.34 -28.69 20.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.03 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.101 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -79.1 -50.9 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -56.15 -25.67 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.912 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.0 -37.97 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.95 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.86 -27.44 42.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 71.31 110.924 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.67 -54.1 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.819 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.64 -45.01 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.114 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.9 -34.51 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.151 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.54 -29.96 62.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.869 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -93.62 -40.77 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 65.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -24.61 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 71.24 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 78.0 t -94.25 -28.86 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 53.32 111.105 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.47 -25.53 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.907 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.151 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 61.43 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -123.88 -3.39 8.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.6 m -92.96 -23.49 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.091 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -0.1 55.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.05 110.888 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.77 -50.02 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 63.53 110.948 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -68.95 -20.71 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -79.33 -25.2 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 65.5 111.163 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.6 ttm -60.61 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.96 -33.06 49.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.41 110.884 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.47 -52.89 49.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.938 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.11 -19.12 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 65.52 111.135 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -53.42 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.32 110.828 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.66 38.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 p -87.67 -21.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 73.34 111.108 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -81.12 -30.14 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.75 -37.63 85.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.873 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.28 -15.81 63.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 70.5 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -69.33 -71.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.906 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.55 -21.56 65.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.71 20.81 8.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.861 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.0 -24.77 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.938 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.2 t -116.41 26.4 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -134.7 11.3 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -151.94 155.93 33.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 75.11 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.78 20.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 75.43 112.309 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.38 3.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 71.22 112.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.28 -20.58 59.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.63 -12.02 67.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 74.42 112.499 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -90.37 -37.42 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 70.14 110.941 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.49 -26.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 72.1 111.136 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.93 -20.58 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 62.54 111.081 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.4 t -85.99 -36.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.35 111.141 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.4 t -52.33 -29.02 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.31 111.132 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -46.87 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.932 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.14 -25.4 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.899 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.92 -24.06 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 71.42 111.136 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.22 -5.54 37.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 53.31 112.476 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -86.59 -14.8 41.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 75.01 110.886 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 m -85.91 -30.79 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.117 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 pp -81.16 -21.73 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.862 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -88.19 -16.66 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.833 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -97.53 -31.13 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.55 110.875 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -25.8 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.929 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.61 -32.01 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 75.23 111.127 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.94 -8.91 62.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 73.53 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.27 -36.98 19.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 71.32 110.895 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -89.17 -39.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 74.05 111.17 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.887 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.7 -28.1 55.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.861 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.3 9.8 42.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.6 mt -51.23 -59.32 7.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 74.15 110.956 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.73 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 73.43 112.353 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -84.03 -6.37 59.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.844 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.04 159.84 62.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 75.15 110.952 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.83 29.62 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.699 2.266 . . . . 74.35 112.408 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.7 p -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 64.34 110.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -34.6 36.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 62.4 110.836 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 m -112.21 -27.45 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 73.43 110.821 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -54.14 -60.57 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -52.15 -29.25 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.23 111.127 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -77.12 -44.8 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.901 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mt -66.86 -48.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.136 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -35.52 46.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 63.31 110.917 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.76 -38.93 7.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 52.23 112.485 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.2 m -62.84 -51.59 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 75.02 111.111 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -59.67 -19.53 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 73.35 110.931 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -50.66 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -16.54 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.905 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.2 -30.3 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -89.35 4.58 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.911 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -108.71 -21.44 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -68.01 -18.71 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.847 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.08 -18.78 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.916 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.36 -30.07 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.084 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -91.97 -31.01 15.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -65.98 -43.81 86.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.4 110.939 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.04 -42.97 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 60.12 111.086 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.61 -23.15 49.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -85.68 -22.07 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.898 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -59.77 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.13 110.869 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.32 -19.12 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.7 tp -97.29 -13.13 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.06 -53.59 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.096 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -99.8 36.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 75.55 110.897 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.413 ' H ' ' NE2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -58.35 -21.31 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.87 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.8 50.54 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.899 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.03 -2.17 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.21 111.087 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.92 76.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 75.02 111.127 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -153.67 156.67 38.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.107 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -69.16 -27.9 65.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.45 110.895 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -33.9 56.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 72.41 110.906 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -24.25 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.53 110.85 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -74.48 -36.45 63.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.41 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 62.24 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.7 -22.38 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.13 111.104 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.58 -38.98 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.885 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -87.64 -38.0 16.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -65.73 -16.29 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.914 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.3 ttm -82.99 -26.69 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 tp -85.34 -37.41 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 75.21 110.906 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 t -63.75 -17.23 62.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.21 111.125 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.19 -33.86 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.31 111.06 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 93.6 p -58.36 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.51 110.819 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -55.17 -26.16 37.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 74.51 110.848 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -61.79 -18.47 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.183 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mp -82.73 -25.39 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.941 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.26 -36.72 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 63.1 111.102 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.95 -28.85 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 64.14 111.144 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.03 -37.86 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.883 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.23 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.23 111.082 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.83 -38.38 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.89 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -74.97 -25.37 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -80.81 -33.17 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.954 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.88 -52.07 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.917 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.07 -28.53 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.882 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.79 -54.64 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.116 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.19 -35.89 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 70.23 111.062 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.47 -33.34 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -90.74 -24.44 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.59 60.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 70.11 111.125 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -59.13 -21.62 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.5 t -76.8 -43.37 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.113 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -75.15 -18.9 60.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.896 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 75.14 111.116 179.782 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 74.43 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.79 -34.5 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 70.14 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -68.44 -12.0 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 73.42 111.119 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.58 -21.36 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.929 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.9 -19.09 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 75.2 110.924 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -100.17 -21.25 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 61.21 110.872 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -85.4 -24.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.25 111.127 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.1 ttp -77.25 -22.25 52.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.835 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -74.19 -35.2 63.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.35 110.938 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 tt -73.23 -40.86 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.921 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.43 -18.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.147 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -88.03 -56.4 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.0 -23.76 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.125 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.81 -14.48 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 71.12 111.109 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -87.65 -29.42 21.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 64.12 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -23.77 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.886 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 pp -88.33 -2.75 58.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.941 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -81.7 -55.21 4.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.903 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -77.33 -22.28 52.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -81.51 -0.55 42.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 65.42 110.863 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -42.11 62.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.95 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -106.01 46.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -48.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.949 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.36 158.92 43.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 72.01 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.19 22.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 74.42 112.363 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -30.68 22.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 73.52 112.363 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -53.66 -36.99 62.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 72.35 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.97 -9.16 77.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 63.51 112.528 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -85.16 -38.32 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.412 . . . . 72.43 110.912 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.92 -31.08 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 73.53 111.15 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.6 m -81.46 -19.15 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.108 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.1 t -91.08 -34.8 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 71.21 111.114 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.53 -29.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 73.32 111.15 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -42.89 71.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.13 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -69.48 -27.11 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.8 t -85.57 -20.54 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.31 -5.04 37.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 70.22 112.5 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 mt -90.34 -23.67 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 73.01 110.962 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 m -67.84 -46.06 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 64.35 111.18 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 pp -61.02 -49.8 75.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.904 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -67.92 -12.31 60.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.854 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.86 -27.0 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 75.35 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -95.05 -20.75 19.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.917 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -54.58 -32.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.11 111.134 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.65 -17.46 72.98 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.48 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 m -74.94 -29.35 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 75.51 110.873 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -96.69 -35.08 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.137 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.61 -35.65 68.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -62.45 -19.33 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.867 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.89 24.6 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.86 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -60.79 -59.2 14.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 75.35 110.918 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.72 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 73.02 112.395 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -68.07 -15.11 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.901 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -91.83 154.42 43.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 71.55 110.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.99 3.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 72.52 112.335 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -77.55 61.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.854 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -170.29 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 53.55 110.838 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -98.79 -24.33 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.859 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -57.73 -30.85 65.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.35 110.817 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 m -70.54 -24.1 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 73.5 111.149 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.68 -59.92 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.43 -42.61 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 72.24 111.101 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -15.52 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.936 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.85 -19.07 18.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 75.5 112.481 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.34 -39.03 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.714 0.293 . . . . 72.03 111.136 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -69.79 -11.14 60.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -39.66 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.922 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.62 -16.93 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.908 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.95 -34.3 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.93 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -86.18 4.79 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.873 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -108.0 -20.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.77 -19.8 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.863 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.83 -17.24 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.64 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 63.14 111.105 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.45 -30.6 17.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.35 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.28 -49.94 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.02 -41.38 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.4 111.125 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.02 -34.07 76.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.851 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -72.91 -25.36 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.867 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 74.2 mmm -71.02 -60.35 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.865 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -56.73 -23.51 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 73.41 110.85 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 tp -90.51 -27.54 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.916 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.29 37.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.1 111.085 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.74 31.46 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.935 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -94.6 20.64 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 51.91 39.42 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.847 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.44 139.7 24.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 61.42 111.076 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.39 65.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.13 111.129 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 t -121.04 -7.89 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 70.21 111.139 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 63.43 27.32 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 65.44 110.874 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.4 -75.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.44 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.4 m 50.85 25.67 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.855 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -101.39 -54.33 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 70.15 110.877 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.12 -42.34 85.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.92 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.92 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.23 111.107 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -75.03 -33.0 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.933 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -87.91 -23.49 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -74.63 -43.93 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.898 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.7 ptp -52.67 -35.81 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 72.15 110.867 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tp -76.42 -40.68 50.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 71.24 110.872 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m -58.55 -21.88 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.06 -36.26 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 74.03 111.069 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 m -56.97 -53.44 57.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.863 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -55.27 -27.73 48.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 75.25 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -58.0 -22.95 52.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 75.5 111.183 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.17 -23.37 43.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.929 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.12 -40.06 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.51 111.087 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.3 p -52.39 -28.99 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.72 -33.41 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.885 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.03 -15.18 62.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 71.43 111.137 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -82.82 -64.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -53.63 -28.23 31.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.893 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.13 -39.7 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.898 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.3 tp -51.7 -37.87 52.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 70.22 110.933 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -80.26 -27.29 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 64.33 110.84 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.54 -61.9 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.092 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.52 -29.26 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.169 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -62.87 -29.62 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.844 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -102.85 -25.47 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.941 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.03 -47.82 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.12 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -55.48 -25.07 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.23 -36.28 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 60.13 111.167 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.06 -18.79 63.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.98 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 63.44 111.118 179.763 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.866 0.365 . . . . 73.42 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 tp -116.25 -19.47 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 65.15 110.914 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 t -88.86 -13.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.1 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.93 -24.82 16.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 71.31 110.924 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -72.28 -22.33 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.937 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.99 -46.79 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.36 -25.81 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.129 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.4 ttp -69.34 -45.4 69.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.81 -32.88 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 tt -79.43 -50.58 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 73.1 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.6 -21.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.3 111.068 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -90.41 -46.63 8.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.855 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.87 -16.31 62.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 64.14 111.081 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.08 -18.89 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 75.11 111.121 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -86.02 -29.39 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.943 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -70.06 -23.09 63.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 70.03 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -88.75 -3.24 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.945 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.1 -21.68 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -92.58 0.21 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.915 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -43.24 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 75.54 110.903 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -93.1 43.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 63.12 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -134.36 -40.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 72.52 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -129.01 159.85 66.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 74.43 110.908 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.3 Cg_endo -69.8 169.2 19.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 71.04 112.341 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.94 37.18 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.7 2.267 . . . . 73.44 112.348 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -71.02 -15.57 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.875 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.02 -30.05 8.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.673 -0.775 . . . . 73.33 112.462 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.96 -30.79 64.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.845 0.355 . . . . 74.13 110.9 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.16 -30.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 75.13 111.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.23 -29.67 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 74.24 111.104 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -72.36 -37.43 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 65.11 111.129 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -55.71 -24.84 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.32 111.101 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -52.32 39.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.923 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -71.91 -20.77 61.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.881 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.4 t -84.19 -23.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 71.44 111.081 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.14 -14.61 20.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 64.41 112.522 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -84.31 -4.74 59.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 71.3 110.92 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -84.27 -47.65 10.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.138 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.46 -47.22 85.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 73.03 110.902 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -67.41 -12.64 60.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.912 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -96.53 -29.91 13.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.1 -22.04 20.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.898 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -54.86 -33.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.25 111.097 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.28 -13.06 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 72.3 112.492 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 m -86.87 -28.33 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 74.43 110.823 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 t -97.82 -31.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.42 111.139 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.92 -17.94 60.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.857 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.38 -23.83 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.14 110.85 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.75 4.61 47.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.92 -60.0 6.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.738 . . . . 71.32 110.922 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.83 -8.39 23.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 64.11 112.346 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -101.32 0.64 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.851 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.03 160.39 29.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 65.12 110.942 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -174.99 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 71.42 112.315 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.7 p -94.24 53.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.02 110.843 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -149.94 -46.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -100.45 -20.93 15.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.855 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -52.78 -50.21 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 74.01 110.858 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 m -71.24 -9.69 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.12 111.148 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.47 -47.0 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.883 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.3 -39.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.13 111.133 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -53.08 -35.37 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.845 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.56 -2.3 65.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 64.51 112.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.4 m -96.18 -43.31 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 74.54 111.118 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -61.65 -17.58 56.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -40.59 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.92 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -24.0 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.885 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -61.92 -17.43 56.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.891 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.77 4.29 54.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 64.5 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -101.83 -28.94 12.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.91 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.27 -27.64 67.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.918 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.85 -7.01 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.948 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.069 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.25 -30.79 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.02 -54.12 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.896 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.28 -49.36 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.115 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.68 -25.73 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 64.44 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -80.1 -26.55 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 53.0 mmm -69.12 -56.5 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.855 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -61.57 -17.96 57.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.902 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 tp -98.25 -17.28 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.874 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.06 -22.51 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 52.32 111.097 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -126.19 26.66 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.93 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.02 168.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.912 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.87 59.37 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.01 110.878 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 -174.89 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.114 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.81 58.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -110.24 174.74 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.142 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.7 p -98.73 -24.85 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.826 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.42 -28.02 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.937 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -25.68 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.81 -36.06 69.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.848 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.27 -33.84 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.06 -23.06 64.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.25 111.073 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.79 -34.69 78.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -89.29 -20.89 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -87.36 -24.08 24.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 65.25 110.921 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.5 ptp -75.13 -26.86 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.852 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -25.74 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 70.22 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -24.7 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.23 111.155 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.26 -30.43 19.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 64.43 111.097 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -57.53 -56.86 16.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.851 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -54.44 -26.33 30.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 70.43 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.9 m -59.7 -20.5 56.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.33 111.104 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.9 -23.97 48.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.908 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.12 -49.09 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.085 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.7 p -51.62 -29.29 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.137 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.82 -29.13 19.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.01 110.86 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.56 -24.24 62.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.42 111.123 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -76.86 -26.05 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -70.3 -29.34 66.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.55 -40.69 34.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.916 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 tp -54.27 -38.58 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.915 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -31.53 71.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.03 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.099 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 m -57.58 -27.58 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 64.34 111.106 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.75 -52.6 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 62.44 110.875 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -76.29 -27.14 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.916 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.45 -42.92 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.076 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -23.67 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.905 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.8 -36.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 72.45 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 65.1 mt -81.17 -26.21 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 61.11 110.908 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 71.31 111.093 179.788 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.833 0.349 . . . . 74.14 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.35 24.71 4.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.32 110.944 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.9 t -88.04 -43.42 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 71.14 111.141 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -18.15 58.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.9 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -73.42 -18.79 61.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.918 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -99.95 -46.81 5.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.34 110.887 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 m -51.84 -29.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.52 111.152 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.2 ttm -59.01 -63.49 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 73.11 110.899 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -51.88 -29.95 21.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.844 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.9 tp -70.98 -54.41 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.924 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.35 -22.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.2 111.153 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -80.51 -52.57 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.62 -36.73 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 73.11 111.143 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.0 p -77.32 -22.32 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 73.35 111.157 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -72.74 -29.93 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 75.44 110.954 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.53 -51.92 37.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.937 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.67 -22.07 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.05 110.904 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -71.9 -69.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.88 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.64 -26.3 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 62.24 110.864 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.96 20.41 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.32 -25.3 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 74.54 110.958 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.3 t -108.21 43.87 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -134.53 -41.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.09 160.29 31.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 74.54 110.93 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.37 21.76 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 74.21 112.352 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 75.53 112.285 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -97.1 22.58 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.907 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.44 -37.36 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 74.14 112.504 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.62 -14.7 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.898 0.38 . . . . 74.14 110.934 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.99 -12.52 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 74.02 111.129 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -93.55 -33.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 75.2 111.13 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.12 -24.99 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.54 111.1 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.86 -18.78 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.15 111.089 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -58.34 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.913 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -66.88 -21.32 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.3 110.859 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.5 t -83.93 -27.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.51 111.122 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.13 1.54 37.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 62.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 mt -96.82 -20.98 17.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.364 . . . . 75.22 110.885 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -16.52 60.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.33 111.114 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.17 -42.33 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.907 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -13.97 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.869 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -39.97 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.39 -25.68 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.939 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.132 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.57 -12.19 58.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.744 . . . . 75.43 112.476 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.5 p -85.58 -47.44 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 75.3 110.857 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.13 -18.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 73.1 111.136 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.87 -22.81 39.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 62.24 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -58.78 -32.87 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 71.15 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -119.0 18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.916 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -51.07 -57.48 13.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 74.1 110.906 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.76 -6.34 18.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 53.54 112.321 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -91.67 14.69 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.865 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 62' ' ' PRO . 4.0 mt -110.13 156.35 40.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 74.12 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.73 -168.66 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.25 . . . . 61.42 112.323 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -89.3 11.16 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 53.32 110.84 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 t -120.23 -17.63 8.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 75.23 110.839 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -112.29 -37.05 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 73.11 110.851 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -54.26 -47.42 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 73.55 110.883 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -60.04 -20.43 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.1 111.09 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.03 -60.7 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 61.32 110.927 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.24 -46.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.126 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.14 -22.1 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.52 -11.28 33.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 75.15 112.468 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.9 m -95.76 -48.29 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 72.44 111.123 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -59.64 -21.63 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.943 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -39.96 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.895 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -18.13 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 65.44 110.922 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.15 -25.7 64.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.883 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -91.97 4.73 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.6 -24.02 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.44 110.876 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.44 -23.12 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.41 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.24 -10.35 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.896 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.88 -27.19 68.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.101 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.2 -28.73 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 75.14 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 tp -69.29 -44.75 71.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.41 110.91 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.37 -34.31 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.51 111.142 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.49 -55.59 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -68.6 -15.54 63.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.14 110.885 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 tpt -69.63 -67.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.32 110.885 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -58.08 -22.16 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.882 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.72 -17.01 27.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.956 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.37 -35.35 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.25 111.093 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.2 24.56 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.863 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 149.66 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.913 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -100.94 80.19 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.917 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.45 149.44 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.03 111.106 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.29 -22.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -51.59 135.25 28.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 71.45 111.12 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -77.52 -16.19 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.881 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.87 -29.68 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 73.53 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -51.76 -30.3 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.62 -39.29 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 64.51 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.73 -26.67 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.911 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.95 -24.38 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.04 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -55.7 -59.47 4.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.924 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -70.79 -31.42 68.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -74.6 -7.3 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 65.32 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.82 -52.86 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.904 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.26 -23.93 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.939 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -66.46 -24.5 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.53 111.123 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.71 14.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 65.2 111.103 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.1 p -55.55 -50.58 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.838 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -53.3 -33.33 52.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.863 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 m -53.28 -40.94 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 75.02 111.138 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.51 -25.12 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.91 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.67 -44.66 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 73.35 111.098 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.1 t -57.99 -23.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.03 111.096 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -90.04 -14.68 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.848 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.22 21.79 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.21 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.18 -60.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.932 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -61.54 -18.66 60.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -78.36 -30.49 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.26 -41.48 84.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.867 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.87 -27.56 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.857 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.38 -50.32 53.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 62.52 111.093 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.02 -33.18 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.14 111.115 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.0 -28.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 63.25 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -104.18 7.47 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -108.44 -41.39 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 70.33 111.086 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.79 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.916 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.7 t -84.19 -39.11 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 64.5 111.147 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.09 -24.08 65.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.123 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.341 . . . . 74.31 110.853 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -99.23 -20.6 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.934 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -54.48 -26.26 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 73.51 111.157 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.99 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.918 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -74.64 -28.53 60.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 72.35 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -86.71 -55.13 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.01 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.3 t -52.3 -28.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.115 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.0 ttm -56.76 -53.74 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.9 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.83 -23.59 63.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 75.13 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.0 tp -68.7 -47.72 65.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.953 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.2 -24.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 70.12 111.111 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.51 -51.56 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.891 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.91 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.118 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -78.35 -18.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.11 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.0 tp -81.48 -27.53 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -71.25 -38.1 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.94 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.913 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -74.53 -50.46 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.914 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -76.85 -24.48 52.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 70.34 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.91 -5.12 47.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.843 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -36.84 45.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.885 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.6 t -117.15 46.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 65.01 110.822 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -144.85 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -112.04 155.88 42.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 75.22 110.874 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 168.7 20.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 64.33 112.305 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.87 35.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 72.31 112.374 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -73.19 -14.13 61.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.886 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.81 -37.15 6.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 74.41 112.532 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -57.62 -36.51 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 73.51 110.865 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.3 p -56.84 -24.22 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 71.41 111.14 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.25 -22.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 65.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.11 -45.94 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.131 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.1 t -51.16 -30.13 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.52 111.087 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -51.06 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.923 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -71.43 -24.04 61.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.15 110.87 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.8 t -79.53 -25.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.51 111.125 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.8 30.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 63.45 112.455 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 mt -83.92 -16.09 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 75.42 110.874 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -50.06 16.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 75.35 111.168 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.07 -45.82 91.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 73.1 110.877 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.74 -12.94 61.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.864 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -96.83 -23.7 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.912 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -101.02 -11.24 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.912 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.3 mt -64.19 -30.36 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.33 111.104 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.82 0.29 82.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 64.02 112.518 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 t -92.81 -30.32 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 54.51 110.844 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.75 -0.87 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 62.14 111.154 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -86.76 -27.12 23.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.45 110.857 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.1 -8.58 56.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 63.04 110.837 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.91 -9.41 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.906 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.6 mt -47.65 -59.98 4.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 74.42 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.77 -8.68 24.22 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.256 . . . . 75.11 112.344 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -110.53 31.2 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 62.23 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.32 158.85 47.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.569 0.7 . . . . 73.14 110.962 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.19 19.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 72.41 112.345 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.1 m -80.26 58.59 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 75.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -162.85 -40.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 62.44 110.853 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -96.73 -33.31 11.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.84 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.01 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.858 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -58.14 -26.43 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.43 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 72.32 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.74 -45.06 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 73.2 111.126 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.72 -29.12 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.926 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.41 -31.78 6.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 53.35 112.452 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.3 m -66.87 -45.16 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 63.55 111.107 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.71 -20.22 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 64.31 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -45.3 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.4 110.873 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.59 -13.54 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 71.43 110.932 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.51 -16.79 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.926 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -102.03 5.0 40.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.863 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.47 -35.33 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.901 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.2 -26.75 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.94 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.84 -14.58 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.926 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.68 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 53.45 111.121 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -89.29 -29.92 18.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 tp -66.08 -49.11 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 72.04 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 mt -59.08 -41.18 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.129 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.53 -54.88 42.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.886 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -61.34 -19.11 61.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 73.15 110.896 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -65.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.91 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -57.41 -22.89 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.02 110.833 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.1 tp -91.46 -17.31 25.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 72.1 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.3 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 74.24 111.063 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.15 23.85 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.928 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 150.14 29.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.955 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -108.41 70.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.891 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.62 -169.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 65.13 111.103 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.7 p -114.5 23.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.121 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 m -53.87 148.08 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 73.54 111.181 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.4 m -88.56 -18.16 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 71.12 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 tp -100.45 -73.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.891 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 p 54.1 22.88 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 75.02 110.85 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -100.69 -45.77 5.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 71.51 110.882 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -55.58 -32.86 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.915 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.54 -18.02 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.1 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -90.87 -43.41 10.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.69 -26.52 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.862 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -74.9 -13.64 60.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.6 ttm -87.31 -26.8 23.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.882 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.01 -32.82 19.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.44 110.889 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -66.03 -22.19 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.157 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.62 -36.85 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.126 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.0 p -56.69 -54.61 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.24 110.87 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -52.82 -30.89 35.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 m -53.87 -33.24 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.42 111.13 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.06 -39.05 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.908 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.92 -31.14 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.102 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.6 t -56.83 -23.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.116 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -91.01 -44.61 9.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 72.12 110.895 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.47 -25.41 36.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.41 111.064 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -67.56 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.868 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.49 -25.96 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -43.38 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.956 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.0 tp -53.8 -27.83 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.951 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.63 -26.29 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 62.11 110.896 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.65 -59.74 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.33 111.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 23.4 t -59.56 -34.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.103 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.31 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.13 110.893 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -97.16 -28.07 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 63.54 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.49 -50.17 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.128 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.21 58.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.14 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.7 t -86.06 -25.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 63.45 111.148 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -33.08 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.929 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.074 179.816 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.829 0.347 . . . . 63.22 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.26 -30.61 28.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.22 -36.99 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.02 111.155 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -18.7 51.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 74.32 110.916 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.58 -18.16 61.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 63.03 110.928 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -100.33 -47.67 4.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.4 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 m -51.48 -29.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 62.52 111.139 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttp -60.37 -58.76 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 65.2 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.71 -36.8 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.45 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.54 -45.7 93.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 75.43 110.932 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.15 -20.44 25.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.22 111.125 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -85.46 -50.19 7.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.881 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.93 -24.53 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.142 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -93.24 -8.92 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 74.11 111.139 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 -26.61 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 72.15 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.28 -30.41 62.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.859 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.49 -2.8 56.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 72.32 110.931 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -81.84 -61.15 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.936 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -71.95 -22.86 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.44 110.849 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -90.05 11.66 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.2 -25.4 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -109.28 44.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.839 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -135.72 -51.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.34 110.942 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.3 160.68 28.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 75.13 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.24 19.36 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 73.43 112.353 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -8.64 24.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 74.41 112.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -78.26 -3.53 43.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.45 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.16 -47.2 1.09 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 40.33 112.447 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -53.28 -30.47 38.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 72.55 110.926 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.39 -25.79 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 63.01 111.152 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.45 -29.19 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.51 -25.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.132 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.23 -17.11 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 54.22 111.169 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -54.63 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.918 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.39 -23.89 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.917 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.5 t -80.27 -26.49 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 54.42 111.123 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.24 -4.44 38.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 63.11 112.486 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -92.12 -6.59 50.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 65.23 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -28.28 19.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.068 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.8 -32.48 21.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 70.14 110.95 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -77.79 -14.71 59.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.874 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.85 -35.14 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.3 110.929 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -24.04 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.901 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.2 mt -59.34 -27.8 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.5 111.149 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.94 1.47 74.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 62.12 112.459 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.87 -27.78 13.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 74.44 110.878 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -97.86 -23.84 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 70.11 111.144 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.28 -20.86 60.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.851 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -73.33 -12.13 60.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.887 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.01 -2.8 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 62.31 110.923 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.1 mt -49.27 -59.71 6.07 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.645 0.736 . . . . 74.13 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.83 -7.58 21.43 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 74.43 112.321 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -113.66 25.26 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.904 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.64 159.0 43.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 75.51 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -174.89 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 73.44 112.373 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.3 p -92.02 51.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -152.63 -47.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.856 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 m -92.99 -34.81 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 64.11 110.846 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -52.52 -44.92 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -71.55 -19.73 62.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.32 111.137 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -60.78 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.12 110.876 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.9 mt -54.53 -41.17 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.5 111.144 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.39 -35.25 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.44 -8.81 59.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 61.21 112.526 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.4 m -93.37 -49.26 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 75.31 111.11 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.17 -32.67 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.1 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.875 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -20.37 65.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 75.11 110.92 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.85 -19.75 60.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.924 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -94.81 4.58 53.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.858 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -103.38 -24.76 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 70.24 110.879 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -65.22 -24.7 67.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 74.55 110.887 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -12.16 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.953 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.81 -32.32 73.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.141 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -88.64 -32.1 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.53 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.76 -53.45 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.884 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.87 -42.7 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.153 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.35 -29.89 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -76.1 -24.05 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 73.05 110.916 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.9 tpp -72.44 -57.07 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.877 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -60.5 -18.6 52.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.3 110.848 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp -98.28 -20.95 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.883 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.83 -57.8 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.34 111.095 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -79.06 -2.05 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 62.43 110.927 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.88 154.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -74.32 83.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.65 170.15 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.42 111.106 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.91 30.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.104 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -149.17 170.42 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.172 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -75.79 73.27 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.833 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.0 tp -113.58 -25.52 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -52.01 -43.0 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.11 110.894 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -65.27 -39.18 92.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 65.55 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.51 -50.66 57.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.877 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.65 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.047 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -58.02 -49.04 78.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -78.02 -39.65 41.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -62.77 -26.47 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.933 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.8 ttp -65.12 -61.13 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -24.38 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.952 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.8 m -63.34 -24.47 67.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 75.44 111.132 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.42 -27.66 18.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.09 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -60.85 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.857 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -51.17 -34.58 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.76 -41.01 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 75.25 111.127 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.87 -18.26 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.913 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.05 -32.59 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 61.1 111.084 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.8 t -80.45 -24.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.51 111.111 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.32 -12.41 60.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.877 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.64 -21.4 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.23 111.091 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -87.9 -35.83 17.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.869 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -61.97 -34.82 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.15 -49.54 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.65 -33.27 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.877 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.43 -43.2 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.898 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.85 -23.39 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.104 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.7 -36.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 75.53 111.141 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -51.22 -51.17 56.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.858 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -69.66 -27.08 64.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.17 -50.71 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.15 111.126 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.77 -23.78 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 63.24 110.947 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -81.14 -39.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 74.12 111.107 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.8 -26.04 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.02 110.883 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.087 179.82 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.841 0.353 . . . . 71.15 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.98 -24.15 51.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.936 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -56.56 -26.43 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.159 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.25 -19.54 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.947 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.42 -15.85 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.932 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -100.73 -42.83 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 m -65.29 -30.27 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.111 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -58.92 -40.82 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.18 -29.06 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.884 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -78.54 -50.52 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.928 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.62 -25.21 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 73.24 111.117 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -85.24 -36.39 20.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.87 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.8 -19.58 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 71.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -93.08 -18.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.164 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -85.38 -25.23 27.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.11 110.934 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.77 -16.14 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 73.43 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.13 -6.2 53.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.931 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -91.36 -53.24 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.945 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.64 -12.69 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 73.11 110.843 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -101.91 -0.78 33.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.15 110.889 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -36.76 46.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.92 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -99.1 42.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.869 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -131.57 -59.37 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.99 160.69 29.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 73.34 110.903 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.01 19.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 75.34 112.322 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -35.33 12.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 72.42 112.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.35 -35.13 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.891 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.69 -9.69 80.71 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.766 -0.73 . . . . 64.04 112.459 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.97 -20.49 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 75.43 110.927 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.24 -18.44 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 72.54 111.095 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.26 -10.57 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.137 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -24.95 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.13 111.174 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 t -70.02 -10.47 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.3 111.15 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -50.35 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.04 110.895 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -74.99 -29.84 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.36 -25.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 71.3 111.112 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.18 -37.5 4.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 73.21 112.497 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.1 -38.6 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 74.42 110.914 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -29.13 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 61.44 111.161 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -31.56 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.957 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -91.04 -11.59 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.875 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -97.05 -14.2 21.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 64.11 110.911 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 pp -98.66 -34.81 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.943 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.22 -27.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.31 111.13 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 4.82 78.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 65.33 112.455 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -111.03 -25.3 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 73.51 110.833 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.2 -31.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.16 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.7 -14.04 62.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.24 110.903 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.21 -18.62 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.02 -6.19 22.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.905 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -48.24 -59.66 5.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 74.24 110.985 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.82 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 75.33 112.349 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 t -113.66 23.67 12.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.896 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 mt -115.65 158.69 41.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 74.13 110.898 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 75.33 112.355 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -94.01 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.85 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.7 t -159.81 -53.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 73.03 110.836 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 p -79.33 -36.44 39.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.835 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -57.85 -45.13 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 73.4 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -61.14 -26.43 67.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.135 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -75.95 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.01 110.869 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mt -55.97 -50.11 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.14 111.132 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.97 -26.56 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.892 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.11 -12.19 50.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 70.31 112.479 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 m -92.53 -50.31 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.724 0.297 . . . . 72.03 111.118 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -62.16 -17.33 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -28.64 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.89 -18.36 29.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.892 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.54 -38.71 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.12 110.968 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -73.04 -8.3 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.6 -13.4 22.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.889 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -76.81 -24.36 52.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.92 -3.3 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 72.52 110.897 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.04 111.128 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -90.94 -27.71 18.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.03 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.23 -47.94 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.6 mt -64.83 -45.14 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.086 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.89 -41.35 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -88.36 -13.05 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.907 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 tpt -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.5 110.887 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -98.15 -9.82 25.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.7 tp -98.13 -31.61 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.928 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.96 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 71.12 111.116 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.35 -16.97 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 75.33 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -51.66 141.78 15.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 74.25 110.876 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.17 65.01 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.34 129.04 34.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.01 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.63 -40.37 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 74.12 111.155 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -60.29 166.52 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 70.12 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.96 31.76 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.67 -22.31 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 75.5 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.6 t -51.82 -30.32 22.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.85 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -70.97 -45.88 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 75.21 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -40.75 89.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.8 -28.26 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 72.13 111.129 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -60.23 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -30.54 71.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.873 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -71.53 -26.4 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.953 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.6 ttm -69.76 -55.46 9.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 65.24 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.49 -24.74 48.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.923 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -74.8 -23.72 58.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.163 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -93.18 -24.14 18.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.108 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.08 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.838 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -50.88 -31.04 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 62.24 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -29.01 51.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 75.15 111.133 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.26 -31.07 65.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.922 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -86.55 -40.2 15.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.093 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 46.5 t -51.21 -35.67 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 72.45 111.132 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.54 -48.34 19.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.02 110.857 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.9 47.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.106 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -79.58 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -62.3 -17.29 58.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.918 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.39 -29.44 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.848 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.08 -28.97 69.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.949 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -83.96 -31.78 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.88 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.08 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.53 111.097 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.8 m -88.44 -27.95 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 75.31 111.152 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -52.6 -52.21 56.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.01 110.858 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -67.54 -25.42 65.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.55 110.906 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.57 -46.32 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.4 111.127 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -23.89 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.5 -24.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.32 -30.74 67.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.862 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 71.03 111.106 179.805 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.827 0.346 . . . . 72.51 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -126.1 11.06 7.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.93 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -93.23 -36.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.102 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.29 -13.52 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 63.21 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -92.68 -47.31 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 71.25 110.897 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -71.65 -21.33 61.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.897 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.84 -27.27 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.24 111.142 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ttp -62.8 -53.39 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.59 -32.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 tp -69.52 -42.01 75.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 72.35 110.901 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.16 -23.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 65.14 111.109 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.71 -52.27 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.5 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.29 62.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 64.33 111.077 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -81.14 -22.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.152 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.66 -28.23 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -32.67 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.76 1.15 50.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.31 110.89 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -99.99 -23.81 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.921 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -101.87 1.62 37.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -109.23 -0.7 19.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.15 -37.85 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 73.5 110.923 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -107.43 45.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 70.45 110.843 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.58 -42.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.921 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.49 160.85 57.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 65.31 110.926 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 169.06 19.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 74.32 112.306 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.73 26.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 72.22 112.359 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.94 -27.97 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.07 -20.19 24.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 71.41 112.48 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -73.78 -30.55 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 72.12 110.927 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.71 -33.76 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.55 111.096 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p -93.12 -18.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 72.53 111.101 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.0 t -76.25 -40.24 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.152 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 t -56.75 -23.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.54 111.128 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -52.06 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.913 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -72.84 -23.74 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 73.23 110.91 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.11 -22.96 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 62.53 111.117 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.33 -15.68 16.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 73.21 112.49 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.73 -4.28 57.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.957 0.408 . . . . 65.21 110.946 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.65 -50.91 7.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.092 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.08 -48.52 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.948 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.69 -14.84 60.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 65.43 110.881 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -90.41 -30.17 17.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.841 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.53 -30.28 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.946 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.3 mt -56.71 -27.55 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.133 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.78 3.92 77.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 54.35 112.471 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 p -105.7 -25.53 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 61.3 110.926 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.2 -22.56 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.13 111.134 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.85 -19.37 64.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.898 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.81 -19.31 60.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mp -102.44 -10.45 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 71.04 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 4.9 mt -47.75 -58.67 7.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 74.02 110.895 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.74 -7.88 22.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 74.2 112.334 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 m -116.55 20.9 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 mt -114.89 159.19 38.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 72.32 110.934 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.37 24.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 74.54 112.342 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 p -75.26 -5.08 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.867 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 -23.87 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.46 -24.61 9.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 72.04 110.806 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -51.48 -54.17 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -16.68 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.13 111.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.66 -60.6 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.91 -45.85 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.101 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.41 -21.25 59.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.872 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.57 -14.63 37.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 62.23 112.492 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.0 m -96.21 -44.31 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.324 . . . . 71.51 111.186 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.53 -18.59 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 64.33 110.943 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -40.57 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 74.35 110.891 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -16.28 57.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.931 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.09 -25.64 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.911 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -92.75 4.44 53.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.848 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -105.33 -24.41 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.935 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.32 -22.98 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.838 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.66 -11.62 15.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.914 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.05 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.35 111.076 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -84.44 -27.27 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 70.11 110.863 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 tp -70.07 -57.46 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.915 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.65 -45.13 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -56.63 -31.11 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -88.88 -14.27 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.871 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.1 tpt -72.79 -56.61 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -69.3 -11.74 61.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -98.12 -30.49 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.963 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.83 -49.47 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.2 111.079 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -95.62 28.24 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.979 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.93 153.38 27.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 75.35 110.879 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -78.76 83.71 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 54.41 110.899 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.92 -41.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.02 111.125 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t 60.04 64.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.118 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -132.18 174.35 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.116 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.853 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.22 -26.31 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -52.22 -29.95 25.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.24 -52.26 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 62.43 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -56.15 -40.29 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 70.44 110.85 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.63 -27.24 38.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 70.43 111.08 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -76.21 -28.81 57.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -86.53 -35.88 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 74.32 110.884 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.02 -40.15 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.899 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.2 ptp -62.69 -31.95 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.849 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.7 tp -79.02 -25.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.914 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.8 m -82.98 -20.68 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.177 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.05 -37.23 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 64.0 p -54.34 -51.96 63.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.41 110.862 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -54.15 -31.25 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.853 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -56.56 -32.15 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.16 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.0 -24.44 65.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.951 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.18 -43.12 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.067 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.21 -24.38 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 75.41 111.136 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -93.5 -18.93 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.95 -23.89 52.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 71.05 111.055 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.42 -58.68 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.921 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -56.37 -25.1 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.877 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -87.25 -35.26 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.93 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -29.7 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.927 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -96.29 -33.05 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.875 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.67 -33.16 45.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 62.01 111.078 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.47 -30.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 75.2 111.09 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.13 -32.93 74.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.863 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -90.07 -18.91 25.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.911 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.85 -56.19 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 71.11 111.108 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -51.67 -46.19 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.89 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.8 p -52.05 -32.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.1 mt -87.43 -25.37 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 64.32 111.095 179.8 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.902 0.382 . . . . 73.14 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.84 -18.44 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.24 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 p -61.95 -39.75 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 74.03 111.151 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -72.11 -17.2 62.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt -81.4 -19.05 43.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 74.41 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -98.85 -39.24 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.52 110.87 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -55.71 -30.51 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 71.41 111.11 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.3 tpp -66.28 -43.85 85.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.51 -23.84 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.32 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tt -82.41 -47.39 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.878 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.59 -37.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.35 111.102 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -74.6 -12.69 60.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.35 -29.15 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 44.21 111.105 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -87.7 -21.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.161 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -74.09 -28.0 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.935 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.93 -34.13 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.864 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.2 -12.58 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.896 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -61.64 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.877 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.18 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -93.53 16.68 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.886 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.02 -50.16 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.891 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -96.02 28.78 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.856 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.37 -36.66 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -132.99 154.78 81.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 75.51 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.77 168.71 20.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 72.42 112.314 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -158.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 74.44 112.372 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 69.2 49.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.33 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.26 -46.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 65.41 112.526 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -77.86 -4.14 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 73.51 110.913 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.3 -16.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 75.12 111.143 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.04 -42.59 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.03 111.13 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -62.65 -19.16 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 73.35 111.155 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.07 -46.58 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.087 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -43.97 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.4 t -81.45 -23.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.146 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -11.71 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 75.31 112.542 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -84.99 -12.93 52.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 75.05 110.951 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -47.07 16.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 75.24 111.113 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 pp -61.78 -47.93 82.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 54.11 110.904 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -68.19 -11.97 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.893 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.25 -25.83 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.889 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 pp -97.24 -17.94 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 73.5 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.3 mt -58.01 -32.09 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 63.41 111.168 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 54.12 112.47 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -25.99 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 71.44 110.863 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t -98.23 -14.92 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.45 111.109 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -77.52 -24.49 49.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.77 -50.29 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 65.32 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.95 -2.07 58.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.912 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -49.53 -59.11 7.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 74.53 110.924 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 62.43 112.357 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -95.35 17.68 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.52 110.816 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 mp -107.69 160.79 25.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 75.34 110.897 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 178.13 4.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 74.21 112.347 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -86.51 71.31 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.85 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -175.1 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 61.21 110.85 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 m -86.64 -25.86 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 71.03 110.83 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -51.36 -43.57 61.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 64.4 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -63.01 -37.22 86.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.32 111.118 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -60.29 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.11 -48.32 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.57 -20.9 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.919 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.49 -16.04 23.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 72.2 112.475 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -96.06 -21.91 17.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.313 . . . . 74.13 111.132 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -86.82 -11.06 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.881 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -35.86 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.31 -17.19 55.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.891 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.2 -26.92 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.892 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -88.37 4.74 45.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.912 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -108.55 -19.38 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.893 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.06 -17.19 63.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.03 110.894 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.46 -19.44 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.0 -34.41 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 60.21 111.089 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -86.89 -32.22 20.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.866 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.76 -58.87 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 75.23 110.93 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.0 mt -52.46 -50.74 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 74.32 111.154 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.29 -24.0 62.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -81.0 -30.13 35.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 65.24 110.881 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 tpp -70.29 -46.66 63.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.874 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -70.47 -15.65 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.1 tp -98.24 -27.18 14.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.897 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.25 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.092 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.26 -13.94 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -52.47 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.897 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -51.3 -48.39 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 57.25 23.68 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.085 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -56.76 -23.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 71.02 111.107 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.8 t -93.23 40.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.161 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t 51.8 71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.879 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.18 33.19 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.979 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -98.6 -58.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.27 -41.97 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.13 110.927 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -62.61 -37.15 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.96 74.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.116 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -61.32 -64.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.901 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -56.45 -26.96 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -75.64 -29.24 59.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.7 ttm -63.49 -54.3 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.887 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.67 -23.77 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.6 m -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.35 111.172 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.8 -38.81 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 64.24 111.093 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 m -59.4 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -53.53 -30.44 41.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 71.43 110.881 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m -58.54 -41.64 86.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.161 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.32 -26.0 64.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.955 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -92.42 -42.67 9.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.123 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 88.6 t -55.82 -35.41 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 70.03 111.178 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -81.6 -12.78 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.848 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.85 15.33 13.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 71.05 111.088 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -126.16 -51.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.893 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -26.09 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.23 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.63 -37.44 36.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.939 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.7 tp -53.71 -37.5 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.911 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.78 -26.13 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.16 -46.88 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.106 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 30.0 m -64.87 -37.09 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.12 111.166 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -54.62 -51.39 65.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.873 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.56 -37.87 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 71.25 110.891 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.01 -45.19 87.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.119 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -62.37 -17.06 58.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.916 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.85 -41.02 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.14 111.108 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.48 -36.26 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.53 111.113 179.816 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.83 0.348 . . . . 74.3 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -56.35 -31.41 63.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.939 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.1 m -66.46 -13.78 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.52 111.086 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -35.22 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -51.91 -29.7 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 73.11 110.927 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -86.67 -44.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.79 -30.82 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.106 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.9 ttp -71.06 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.891 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.65 -29.71 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.898 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.43 -45.85 61.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.933 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.29 -24.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.17 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -85.54 -49.66 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 64.01 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 p -87.74 -19.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.03 111.146 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -89.7 -28.07 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.71 -31.83 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.871 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 pp -71.47 -29.03 64.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.884 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -51.47 -51.87 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.908 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -73.98 -17.84 60.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.904 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.65 -7.48 59.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -53.65 36.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.949 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 t -97.56 41.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.835 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -129.93 -63.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 73.41 110.886 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.31 159.9 30.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 72.44 110.895 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.51 24.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.263 . . . . 74.33 112.369 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.81 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 74.23 112.342 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.81 -17.59 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 73.04 110.884 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.78 9.43 34.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.793 -0.718 . . . . 43.11 112.461 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.33 -25.34 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.365 . . . . 74.0 110.908 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.49 -30.78 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 73.54 111.143 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.9 -22.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 72.43 111.116 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 t -76.43 -35.81 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.093 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.3 t -64.61 -19.04 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.104 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -50.15 30.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.895 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -71.27 -11.21 60.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.928 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.1 t -96.11 -24.9 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 72.33 111.185 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -11.62 27.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 72.22 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 mt -82.73 -17.84 42.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 74.1 110.899 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -48.82 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.42 111.146 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.63 -47.54 84.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -68.62 -11.93 60.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.859 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -96.66 -21.71 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.903 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.18 -25.58 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.9 mt -55.73 -31.25 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.01 111.131 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.15 -10.51 73.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 62.42 112.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.05 -29.82 21.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 62.21 110.864 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.71 -23.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 72.55 111.144 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -72.99 -16.04 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.807 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -71.13 -15.97 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 73.54 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.79 -4.9 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.919 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -47.58 -58.95 6.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 74.14 110.882 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.75 -8.03 22.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 75.3 112.327 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.8 m -117.15 22.79 12.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.842 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt -115.69 159.35 39.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 73.34 110.959 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 176.25 7.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 75.43 112.366 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.7 m -76.47 -5.05 45.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.89 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.93 -19.09 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.41 110.878 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -112.13 -37.28 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 70.13 110.816 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -52.06 -46.68 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 71.25 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -12.92 60.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 72.45 111.188 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.71 -56.61 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.2 110.881 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.89 -50.56 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.22 111.166 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.2 -29.51 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.44 -33.63 7.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 63.31 112.476 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.7 m -70.23 -53.51 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 73.13 111.165 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.27 -25.87 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.891 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -46.53 80.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -16.34 60.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.921 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 tp -58.15 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 65.52 110.869 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -90.56 4.64 50.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -107.66 -25.48 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.912 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -63.76 -18.28 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.891 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.49 -16.85 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.909 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.28 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.23 111.048 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -86.13 -29.54 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.924 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 tp -68.66 -54.87 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.922 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.9 mt -61.07 -54.05 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.5 111.109 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.11 -47.17 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 75.04 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.65 -23.96 67.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -67.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.884 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.69 -28.42 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -81.94 -31.92 31.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.4 32.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.085 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.05 -29.66 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -55.81 110.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -80.69 87.44 5.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.23 110.869 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.47 154.85 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 65.41 111.091 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.39 -30.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 74.45 111.141 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -52.01 143.62 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 75.45 111.131 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.9 m -95.87 26.05 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 63.11 110.853 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 mt -105.22 19.49 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.12 110.931 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -30.61 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.34 -40.75 96.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 71.35 110.856 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.93 -33.27 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.896 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.13 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 75.23 111.131 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -70.07 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -37.06 62.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.893 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -71.47 -26.26 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.933 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.2 ttm -69.43 -56.74 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 70.13 110.868 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.23 -21.43 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.956 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 m -85.01 -21.64 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 74.15 111.103 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.07 -19.6 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.14 111.103 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -56.95 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.831 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -50.78 -31.26 16.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 72.3 110.834 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.96 -40.92 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.172 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.13 -27.19 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.938 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.1 -44.87 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 72.03 111.067 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 30.4 t -56.0 -24.55 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 75.32 111.138 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -90.11 -21.17 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.55 110.864 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.58 -23.63 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.097 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -68.72 -57.02 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.912 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.5 -27.21 36.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.16 -37.73 37.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 75.22 110.927 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.77 -28.76 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.918 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.74 -31.98 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.878 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.35 -54.3 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.096 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.96 -34.39 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.139 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -59.45 -40.85 88.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.91 -42.14 16.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.895 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.04 81.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 75.01 111.091 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -58.4 -21.63 51.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.7 t -86.52 -38.42 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.121 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.75 -33.19 64.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.896 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 70.24 111.117 179.828 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 75.23 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -125.84 -34.77 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.937 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 m -65.84 -13.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.4 111.134 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -0.95 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.943 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.89 -52.17 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 72.03 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -67.63 -20.15 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -84.61 -27.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.45 111.107 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.6 tpp -78.03 -24.23 47.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.84 -23.83 55.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.865 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.09 -44.3 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -53.87 -26.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 73.21 111.139 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -56.86 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.89 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.33 111.124 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.17 -8.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.33 111.138 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.8 tp -92.44 -26.57 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 70.15 110.944 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.87 -29.92 62.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.926 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.52 -2.09 40.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.93 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -81.1 -64.78 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 72.33 110.898 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.73 -23.54 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.77 22.02 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 75.33 110.879 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.49 -26.77 26.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 70.31 110.961 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -113.03 50.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.857 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.81 -42.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.1 mt -104.58 159.61 28.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 72.22 110.895 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 168.44 21.57 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 73.12 112.376 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -10.47 28.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 71.21 112.37 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -76.21 -25.24 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.89 -18.07 56.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 73.22 112.444 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -83.39 -40.28 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 73.13 110.919 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.1 -37.96 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.105 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -72.46 -20.78 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 71.33 111.083 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.4 t -90.96 -33.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 73.21 111.124 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.93 -29.19 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.52 111.16 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -43.06 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.924 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.59 -28.78 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 71.23 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.6 t -82.78 -18.17 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 75.35 111.155 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -16.57 14.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 74.3 112.489 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.82 -3.62 58.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 75.33 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.59 -46.12 11.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.17 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.73 -47.39 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.935 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -67.79 -12.66 61.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.867 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -97.64 -30.4 12.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.918 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 pp -91.19 -19.48 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 55.44 110.93 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 mt -54.34 -31.27 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 73.34 111.089 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.02 -19.35 73.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 74.13 112.489 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.6 p -67.45 -43.61 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 74.33 110.886 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 t -84.0 -32.06 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.134 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -57.15 -32.15 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.49 -13.85 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.835 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -7.93 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.882 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -48.35 -58.37 8.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 74.24 110.899 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -6.98 19.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 73.04 112.31 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -104.5 25.82 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.858 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.91 164.09 17.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 75.34 110.931 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.08 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 74.2 112.381 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m 72.09 8.19 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 61.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.4 t -110.51 -35.86 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.859 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -105.98 20.17 19.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 74.44 110.859 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -71.1 -41.93 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.872 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -54.86 -23.31 17.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 111.109 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -58.5 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.887 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.2 mt -65.36 -51.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 65.1 111.115 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -29.58 18.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.04 -32.58 8.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 60.34 112.519 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.6 m -65.46 -51.71 58.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 62.32 111.134 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.83 -18.95 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -45.72 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 pp -75.39 -18.79 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.96 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.46 -23.49 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.889 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -93.23 5.05 52.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.834 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -106.67 -23.59 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.895 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -65.26 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.937 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -100.66 -14.97 17.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.905 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.45 -60.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.2 111.081 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -68.17 -19.89 64.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -78.44 -32.87 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.894 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.98 -28.2 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.133 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.43 -52.25 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.905 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -66.03 -22.36 66.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.937 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 tpt -64.94 -51.2 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.864 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -76.23 -14.05 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 71.02 110.854 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.98 -7.71 29.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.927 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.42 -5.55 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 55.24 111.095 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -120.48 -8.56 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.35 110.89 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.86 161.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 71.43 110.922 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -100.39 78.09 2.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.9 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.89 133.99 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -55.88 -25.19 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.35 111.114 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -51.67 141.48 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.159 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -96.84 26.17 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.53 110.899 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.11 20.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -27.02 52.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 73.0 110.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.57 -25.83 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.856 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.35 -43.88 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.897 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.37 -24.96 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.32 111.1 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -64.08 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -52.36 -43.22 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.35 110.881 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.942 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 25.9 ttm -65.32 -46.17 81.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.857 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.38 -31.57 71.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 73.41 110.939 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.0 m -62.23 -20.97 64.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 63.03 111.181 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -96.42 -24.71 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 62.4 111.127 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 70.7 p -65.58 -49.2 69.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.914 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -58.81 -20.74 52.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.03 110.848 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.3 m -66.9 -28.63 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.153 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.2 mp -72.03 -24.52 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.887 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.23 -43.67 7.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 75.13 111.091 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.03 -26.84 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 72.13 111.14 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.88 -10.63 38.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.905 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.5 -8.38 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.118 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -49.81 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.965 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -52.49 -34.4 49.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 71.41 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -42.1 85.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.955 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.76 -42.88 62.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -79.54 -33.66 41.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.865 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.82 -58.13 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 75.25 111.102 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.1 p -66.83 -25.27 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 65.34 111.12 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.98 -48.46 78.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.844 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.65 -36.77 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.893 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.05 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 70.11 111.115 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -61.83 -33.41 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.91 -36.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.5 mt -67.9 -23.48 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 74.24 110.909 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.106 179.78 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.807 0.337 . . . . 72.04 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -83.26 -35.82 25.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 65.12 110.926 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.7 p -69.74 -29.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.126 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -20.92 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.928 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 mt -86.72 -20.82 27.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.83 -18.78 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 71.34 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -85.99 -27.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 73.04 111.127 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -73.05 -20.41 60.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.837 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.83 -18.01 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 74.25 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.8 tp -87.42 -48.54 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 75.05 110.881 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.71 -20.89 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.1 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -88.16 -16.66 32.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.839 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.12 -18.46 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 62.12 111.113 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.0 p -92.96 -21.32 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.109 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.35 -27.91 19.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.904 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.25 -23.87 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 65.13 110.895 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 pp -79.15 -30.38 43.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 74.04 110.913 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -50.92 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 70.54 110.909 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.73 -24.05 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.924 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.75 -8.81 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.885 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.95 -43.9 73.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 75.44 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 p -105.4 35.09 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.887 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -131.91 -39.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.7 158.4 68.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 74.42 110.885 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.84 17.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 75.34 112.372 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -31.42 20.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 75.42 112.418 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -49.83 -34.42 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.2 -30.31 34.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 75.51 112.52 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.79 -38.16 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 73.42 110.895 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -25.03 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.123 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.5 t -91.57 -16.04 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.23 111.096 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.18 -35.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.14 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.48 -19.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.154 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -51.68 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 75.1 110.901 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -72.01 -18.42 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.917 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.9 t -94.56 -19.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 72.2 111.09 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.42 -13.86 21.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 52.03 112.502 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 mt -85.29 -21.85 28.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 63.24 110.907 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -49.46 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.13 111.088 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 pp -58.53 -47.58 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.915 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -70.87 -9.21 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.886 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -97.29 -25.95 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 pp -93.89 -24.52 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.938 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.8 mt -55.25 -30.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.123 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.39 -15.89 75.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 72.5 112.531 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 m -86.38 -22.28 26.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.389 . . . . 73.43 110.872 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.82 -47.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 72.2 111.132 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -56.85 -33.71 67.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 72.13 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -15.21 60.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.863 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.44 10.53 40.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.907 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.33 -58.47 8.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 75.33 110.927 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.74 -6.77 19.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 75.03 112.356 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -90.64 -6.1 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 65.14 110.877 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -129.08 159.64 67.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 74.54 110.906 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.77 157.58 59.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.03 112.325 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -53.17 -34.34 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 71.23 110.833 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -51.57 -29.33 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.847 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.87 -19.69 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.903 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -63.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 74.42 110.919 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -29.63 15.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 72.22 111.135 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.34 -57.62 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.38 -57.0 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.133 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -54.19 -25.51 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 71.25 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.95 -12.55 55.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.721 . . . . 72.23 112.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 83.8 m -96.21 -49.6 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.719 0.295 . . . . 73.31 111.158 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -59.32 -27.53 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.913 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -42.87 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.04 -16.94 59.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.954 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.8 -34.24 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.03 110.962 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -85.89 4.8 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.01 110.908 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -106.92 -20.45 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.919 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.877 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.61 -16.64 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.945 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.35 -27.63 67.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.14 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.79 -30.22 13.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.876 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.9 -35.0 77.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.864 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.3 mt -83.16 -34.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.091 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.32 -21.27 58.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.854 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -86.45 -37.26 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 72.02 110.915 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.6 ptm -67.44 -29.72 69.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.83 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -85.66 -18.27 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 73.2 110.875 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 tp -98.06 -19.3 18.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 73.15 110.934 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.63 -47.96 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.12 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -55.31 -26.09 38.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 73.23 110.937 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.6 133.95 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.28 75.33 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.877 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 144.95 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 75.35 111.1 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.57 43.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -153.58 168.41 26.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.138 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -91.49 47.16 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.833 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.4 tp -105.73 -25.81 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 74.13 110.957 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.7 t -52.46 -33.29 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -52.3 -41.13 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.856 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.15 -34.36 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.936 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.52 -3.96 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 61.42 111.086 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -40.24 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.837 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -22.44 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 75.4 110.919 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.21 -25.26 62.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.941 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.0 ptm -77.06 -32.04 56.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.04 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tt -79.02 -22.93 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.923 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.5 m -74.53 -21.27 59.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.177 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.19 -34.11 26.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.02 111.106 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 94.2 p -56.34 -55.16 36.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.854 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.13 -28.31 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.836 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.4 m -57.05 -24.32 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 71.24 111.124 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 mp -79.43 -21.9 44.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.93 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.04 -42.61 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.1 111.07 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.91 -29.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 73.3 111.149 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -82.36 -31.81 29.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.33 69.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.077 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -76.04 -45.68 33.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -63.66 -28.41 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.911 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -42.39 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.882 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.59 -30.41 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.03 110.96 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -29.96 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 64.04 110.879 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.4 -54.49 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.23 111.066 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.1 p -66.47 -29.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.107 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.85 -55.57 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.896 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.25 -33.18 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.85 87.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.02 111.121 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -66.88 -21.24 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.877 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.3 t -86.96 -38.34 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.1 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.82 -22.49 42.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.1 111.086 179.788 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.904 0.383 . . . . 64.44 110.816 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -59.66 -21.45 60.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -58.76 -41.92 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 75.54 111.161 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -18.03 57.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.877 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.15 -18.58 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.889 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -100.19 -46.12 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.14 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 m -51.48 -29.73 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 64.3 111.143 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -66.02 -47.05 75.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -52.21 -29.49 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.888 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 tt -81.06 -51.18 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.87 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.71 -23.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.31 111.152 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -82.9 -55.56 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.35 -40.4 59.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.09 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 p -74.64 -27.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.55 111.109 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -31.81 73.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.04 110.934 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.9 -45.36 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.931 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.74 -9.53 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -84.63 -24.22 29.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -111.33 -28.76 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.901 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -87.92 0.48 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -38.56 55.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.898 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -100.23 42.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.836 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -130.62 -61.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.25 159.96 31.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 74.41 110.882 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.08 22.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 73.43 112.327 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.22 31.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 75.32 112.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.32 -26.53 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 74.05 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.07 -1.37 54.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 41.31 112.481 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -98.57 -24.81 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 75.31 110.908 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.33 -26.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 73.12 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 p -93.04 -22.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 71.35 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.8 t -74.08 -39.21 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.135 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.55 -24.51 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 64.32 111.09 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -54.22 35.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.885 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -70.09 -17.28 63.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 72.51 110.91 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.5 -29.03 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.1 111.176 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.46 31.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 71.31 112.453 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -84.84 -19.56 32.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 71.54 110.925 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 m -69.31 -51.85 33.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.936 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -65.17 -13.94 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.875 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -92.28 -30.58 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.46 -25.85 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 71.14 110.945 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.6 mt -55.79 -30.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.093 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.03 -8.56 64.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 45.25 112.473 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.7 p -91.35 -33.16 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 73.33 110.894 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.8 t -92.5 -29.13 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 72.13 111.086 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -55.69 -30.7 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 61.53 110.846 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -79.01 -25.52 43.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.02 -14.05 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt -50.71 -60.39 5.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 75.35 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.74 -9.45 26.15 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.269 . . . . 74.05 112.326 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t -98.47 2.27 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 62.34 110.862 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mp -98.78 160.22 28.41 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 75.34 110.921 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -170.62 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 72.2 112.361 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.1 p -97.7 53.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.829 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.8 t -152.86 -46.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -102.03 21.88 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 63.03 110.881 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -86.78 -43.25 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.847 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -62.52 -30.3 71.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.126 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.56 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.855 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.6 mt -62.12 -53.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.14 111.192 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.81 -27.76 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 65.4 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.48 -9.15 55.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 75.22 112.448 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 120' ' ' LEU . 44.9 m -96.07 -52.18 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 64.13 111.129 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -57.86 -23.1 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -40.89 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.922 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -15.75 57.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.935 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.4 -21.79 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.925 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -97.24 4.42 50.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.57 -23.37 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.894 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.65 -20.3 65.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 60.21 110.885 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.38 -14.44 14.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.904 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.36 -33.38 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 60.3 111.124 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -88.72 -29.18 20.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.877 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.95 -57.95 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.884 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.3 mt -52.86 -36.77 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 72.51 111.166 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.37 -40.67 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.901 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -78.7 -16.84 56.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.88 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.23 -51.3 25.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.07 -13.44 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.892 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 tp -98.04 -20.51 17.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 73.31 110.937 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.94 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.082 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.05 28.71 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 71.44 110.876 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 156.63 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -79.26 75.25 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.908 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.61 156.62 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.081 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 p -104.21 -26.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.126 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.1 t -58.41 163.24 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.14 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.6 m -97.87 27.61 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.4 110.867 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 tt -80.63 -24.98 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.934 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 m -52.14 -30.06 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -51.97 -45.0 64.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -59.87 -45.5 92.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.864 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.83 -26.66 68.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.117 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -62.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -60.07 -41.52 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.887 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -63.22 -25.08 68.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 71.32 110.899 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.5 ttp -68.62 -59.15 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.858 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.2 -24.18 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.02 110.876 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -68.72 -19.83 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.52 111.114 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.66 -31.28 13.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 64.52 111.128 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.9 p -60.16 -51.27 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.857 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -55.31 -25.98 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.925 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.83 -20.22 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.33 111.134 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -81.09 -24.68 37.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 74.35 110.939 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.08 -39.64 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.43 111.095 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.86 -29.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 71.54 111.163 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.03 -44.41 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.898 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.86 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 70.41 111.094 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -73.37 -65.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.867 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -64.18 -22.37 66.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 60.34 110.896 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 72' ' ' THR . 12.9 tp -72.28 -33.02 67.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 75.14 110.969 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.64 -26.48 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 73.34 110.93 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.06 -50.07 13.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.91 -31.0 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.21 111.104 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 91.3 t -86.68 -37.77 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 75.54 111.114 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -53.69 -51.03 64.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.837 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -71.59 -34.48 69.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.896 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.077 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -25.1 59.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.7 t -82.59 -35.17 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 61.54 111.128 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.05 -34.16 63.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 60.4 111.091 179.783 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.782 0.325 . . . . 74.35 111.121 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -150.88 128.24 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 73.03 110.873 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.3 mt -100.24 58.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.939 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -64.06 145.97 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 74.41 110.815 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -131.58 117.63 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.873 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.81 98.11 9.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.1 111.145 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -106.89 -37.33 6.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.873 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -91.6 123.46 35.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 65.21 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -102.29 17.61 23.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.906 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -93.15 -33.72 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.04 111.095 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -88.48 0.51 56.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.912 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -85.1 -57.2 3.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 65.22 110.909 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.82 -49.49 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 72.01 110.876 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 p -52.23 -28.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -62.45 -38.17 88.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.6 -31.16 71.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.39 -50.08 35.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -54.36 -26.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.163 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 -48.86 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -24.02 67.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.097 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -91.46 -18.73 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.137 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 tp -81.74 -26.34 34.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.942 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -73.07 -33.02 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.878 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.89 -2.39 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -89.68 -19.79 24.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.68 -25.46 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.01 110.845 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -80.52 -6.21 57.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.2 110.888 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.83 -41.36 61.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.89 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -97.42 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 62.12 110.83 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.54 -72.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 72.45 110.924 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.95 159.36 31.65 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 74.4 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.11 22.47 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 72.03 112.365 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -17.32 37.94 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.696 2.264 . . . . 71.5 112.375 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -62.74 -31.9 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.893 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.37 -21.08 42.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 72.55 112.491 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.93 -27.74 60.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.952 0.406 . . . . 71.35 110.912 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -53.64 -28.89 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.42 111.109 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -87.81 -24.32 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.01 111.097 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.78 -42.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.144 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.86 -25.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.33 111.164 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -55.31 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.904 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -70.16 -11.63 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.07 -24.29 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.25 111.109 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.05 -10.51 29.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 75.24 112.516 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -91.32 -4.03 56.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 64.45 110.921 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.34 -25.12 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.165 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 pp -87.2 -42.85 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.904 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.42 -16.2 61.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -33.1 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.03 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -26.21 37.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.1 mt -59.92 -30.32 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.31 111.116 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.91 -2.21 76.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 73.42 112.481 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -31.36 16.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 74.51 110.845 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.6 t -87.31 -25.4 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 65.35 111.161 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.98 -28.11 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.835 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.5 -27.21 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.861 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.16 -12.86 42.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.953 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 mt -51.37 -58.86 9.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 74.03 110.945 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.8 -6.22 18.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 72.42 112.344 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -104.74 21.06 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.848 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -129.55 160.35 64.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 62.23 110.923 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 75.45 112.316 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -107.77 53.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.91 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -144.94 -42.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -87.64 -19.03 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.863 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -53.21 -38.29 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.889 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -20.49 33.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.141 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -85.81 -48.62 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.865 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.6 mt -69.58 -56.76 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 64.32 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -15.53 58.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.901 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.26 -20.87 16.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 74.24 112.521 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.1 m -96.0 -42.59 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 74.24 111.128 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.99 -16.54 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 75.14 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -37.75 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.06 -16.7 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.959 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 tp -59.51 -22.98 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.54 110.913 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -95.31 4.48 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.933 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -107.27 -23.27 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -66.62 -20.21 65.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.7 -15.47 14.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.879 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.66 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 71.43 111.136 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -89.47 -26.06 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 75.33 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.7 tp -72.03 -49.86 33.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 72.13 110.935 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.3 mt -65.85 -47.79 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.44 111.123 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -56.61 -25.48 53.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.898 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.43 -22.77 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.914 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.7 tpp -71.07 -55.1 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 70.3 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.16 -15.0 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.9 tp -98.09 -25.54 14.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.923 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.6 -52.04 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 75.2 111.106 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.65 -18.93 65.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.72 155.27 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.915 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -73.99 75.86 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.869 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.02 129.11 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 74.35 111.116 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.4 t -105.42 75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.119 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.5 t -156.82 156.56 33.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 71.21 111.192 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.38 -31.27 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.832 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.39 -25.49 49.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.922 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.6 t -53.93 -28.18 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 63.14 110.852 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -81.83 -40.83 21.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.851 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -68.95 -27.73 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.906 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 -4.46 44.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.101 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.83 -33.09 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.51 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -86.48 -24.23 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.878 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -73.2 -46.49 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.45 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.0 ptp -51.91 -39.42 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.897 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.45 -35.22 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.926 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -21.18 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.105 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.17 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 74.33 111.102 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.85 -56.71 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 65.32 110.854 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -52.01 -30.61 26.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.863 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.6 m -53.51 -41.0 65.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.8 -25.78 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.945 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -92.3 -45.12 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.091 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.9 t -57.16 -34.12 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 72.41 111.123 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -85.94 -4.73 59.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.929 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.62 -34.89 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.106 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -58.15 -34.48 70.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.884 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -82.42 -18.27 42.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.871 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.28 -34.69 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.929 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.36 -30.06 70.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.917 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -95.6 -26.05 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.886 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.87 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.098 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.0 t -65.16 -32.78 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.106 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.2 -25.64 47.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 65.25 110.851 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.42 -21.55 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 75.11 110.886 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.43 -37.6 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 65.42 111.086 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.8 -45.23 71.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.74 -32.08 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.21 111.093 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.69 -27.03 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.934 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.67 -31.6 66.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 64.44 111.089 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -84.15 -51.19 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.871 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.6 mt -54.88 -27.13 40.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.98 155.84 20.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.065 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 77.7 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.885 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.806 0.336 . . . . 75.43 111.069 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -118.56 88.16 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.895 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -131.57 50.6 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 75.22 110.9 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -99.81 44.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.895 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -111.93 88.88 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.879 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -98.46 68.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.52 111.19 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.36 40.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.75 77.12 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 62.32 110.82 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.34 -29.65 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.936 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.43 -25.85 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.112 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -21.82 18.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.908 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.93 -20.09 61.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -98.84 -46.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.876 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.7 p -53.11 -27.72 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.107 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -45.16 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 75.55 110.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.09 -22.93 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.873 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.1 tp -79.35 -56.31 4.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 75.02 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -65.49 -21.57 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.103 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -88.59 -21.28 24.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.43 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 65.2 111.114 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.5 p -93.21 -14.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.24 111.119 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.4 tp -85.29 -25.96 26.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.44 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.42 -27.35 60.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.58 -1.71 57.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -90.8 -11.85 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.86 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -111.88 -24.17 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.87 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.45 12.96 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 62.54 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -38.3 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 72.55 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -105.53 39.57 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.98 11.25 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 pp -179.66 156.33 0.79 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.706 . . . . 72.54 110.923 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.4 21.75 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.258 . . . . 74.21 112.32 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -8.0 22.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 64.32 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.68 -22.68 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 64.32 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.39 3.04 57.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 74.52 112.496 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -108.6 -26.35 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 74.33 110.921 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.24 -26.74 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 74.41 111.167 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 t -93.15 -20.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 70.25 111.128 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -75.07 -37.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 74.11 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.82 -23.85 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 75.33 111.117 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -54.06 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.851 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.82 -23.31 61.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 71.41 110.903 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.0 t -81.17 -24.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.078 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.32 -13.49 24.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.34 112.52 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -83.37 -10.84 58.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 71.33 110.873 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -52.39 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.51 111.163 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 pp -56.83 -49.17 76.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.943 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -64.98 -14.41 60.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.88 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -91.17 -28.28 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.851 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.94 -31.78 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.91 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.02 -26.55 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 75.31 111.129 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.54 -1.82 78.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 70.33 112.528 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.4 -33.73 8.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 74.11 110.838 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.5 t -88.43 -29.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 73.33 111.13 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.71 -38.1 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -27.05 63.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.866 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.7 mt -98.13 16.58 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.2 mt -51.61 -58.98 8.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 74.53 110.953 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 74.32 112.373 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 t -84.0 -6.48 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.02 110.857 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.84 159.99 61.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 73.52 110.881 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 159.36 53.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.262 . . . . 75.55 112.342 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -57.78 -23.32 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.834 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 t -50.8 -38.49 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.841 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -112.24 -27.67 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 75.45 110.87 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -51.06 -57.6 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.849 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -57.68 -21.7 41.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 111.125 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -84.03 -35.88 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.8 mt -70.93 -48.95 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.143 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -56.47 -29.62 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.849 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.11 -37.77 6.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 55.41 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.2 m -70.16 -52.32 24.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.731 0.301 . . . . 73.53 111.176 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -63.23 -22.51 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.91 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.68 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.56 -15.49 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.0 -25.45 63.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.918 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.53 4.85 53.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -111.19 -21.59 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.942 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.0 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.872 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.89 -20.36 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.923 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.03 -29.91 65.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.106 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -90.91 -31.82 16.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.871 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.75 -51.42 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.925 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.5 mt -60.13 -40.77 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 71.52 111.149 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.16 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.925 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -19.78 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.913 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 26.5 tpp -75.39 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.886 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -21.78 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp -94.64 -28.5 15.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.95 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.48 -42.84 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.14 111.086 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -108.5 28.78 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.58 167.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.922 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.96 -35.16 66.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.56 109.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 55.14 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.3 56.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 71.25 111.102 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.7 t -93.43 172.83 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.107 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -96.75 29.0 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.876 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 tt -115.7 -23.76 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 75.03 110.946 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.1 -40.2 60.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.21 -40.86 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.53 -34.57 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.51 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.85 -24.98 64.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 72.54 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -57.2 -61.87 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -65.17 -28.68 69.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.41 -28.14 63.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.5 ttp -67.23 -55.11 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.4 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.11 -24.58 55.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -68.0 -22.6 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.103 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -90.83 -36.65 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 61.14 111.077 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 98.1 p -56.48 -53.87 52.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 73.33 110.846 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -56.1 -25.05 44.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.1 m -62.54 -17.81 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.137 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -83.27 -25.86 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.29 -36.41 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.23 111.105 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.56 -29.24 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.45 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -85.87 -32.91 21.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 64.04 110.889 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.15 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.086 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.86 -48.14 26.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.77 -24.44 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -84.24 -44.19 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.868 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.3 tp -54.02 -26.97 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.939 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -88.18 -26.5 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.51 110.877 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.64 -50.04 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.5 m -69.34 -31.61 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 72.1 111.109 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -56.5 -43.88 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.871 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -75.08 -27.7 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.31 110.924 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.81 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.04 111.066 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -64.38 -24.87 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.901 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 83.3 t -82.6 -39.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.128 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.8 mt -78.62 -24.96 45.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 62.33 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.05 -54.39 47.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.08 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -62.99 -57.11 11.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.868 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.5 mt -53.05 -29.22 28.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.908 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 62.35 73.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 72.44 111.092 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.887 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.817 0.341 . . . . 74.43 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.55 58.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 64.42 110.85 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.52 64.35 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.71 110.64 22.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.855 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -101.57 102.88 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.883 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 t -175.47 173.84 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 63.42 111.173 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.86 34.69 1.84 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.31 110.863 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -53.73 101.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.897 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -134.26 6.83 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.926 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 m -93.32 -16.79 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 62.32 111.127 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -95.01 -15.7 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.957 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -79.48 -25.02 41.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 75.55 110.951 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -91.66 -43.61 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.904 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.66 -28.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.139 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.3 tpp -72.26 -42.97 65.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.872 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 75.51 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.78 -54.38 32.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -49.53 -51.31 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.131 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -66.32 -24.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.22 -29.15 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 74.13 111.084 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.24 -18.2 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.123 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -20.01 58.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 70.22 110.887 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.23 -25.68 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.929 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pp -93.06 -1.04 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.881 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -91.18 -49.52 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 65.25 110.842 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -75.84 -25.46 56.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 65.41 110.882 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -86.97 0.35 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 62.21 110.927 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.947 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -98.89 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.869 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -138.72 -74.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.52 159.19 64.7 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.644 0.735 . . . . 74.51 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.53 21.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 72.23 112.339 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.59 23.98 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 71.21 112.373 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -89.83 -11.59 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.28 -10.57 54.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 71.12 112.502 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.97 -33.62 22.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 73.14 110.892 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 p -50.7 -39.37 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 71.04 111.12 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.61 -33.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.1 t -70.07 -35.13 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 65.42 111.125 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.08 -25.06 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 71.52 111.143 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -57.94 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -71.51 -10.43 59.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.892 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.02 -23.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.21 111.126 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.83 -21.27 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 71.33 112.455 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.01 -1.45 48.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 74.53 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.69 -49.21 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 74.14 111.135 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.5 -50.53 71.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -64.81 -14.62 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 75.55 110.846 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -91.28 -26.65 18.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.897 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.59 -29.24 15.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.2 mt -56.22 -28.8 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.21 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.27 -8.13 83.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 64.22 112.512 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.38 -27.18 13.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 75.43 110.849 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t -92.62 -24.46 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.4 111.16 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -73.95 -35.77 64.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.878 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -76.18 -7.29 54.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.856 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.5 6.67 17.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.945 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -54.13 -57.79 16.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 74.23 110.936 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.76 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 63.01 112.362 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -92.53 -2.46 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 63.3 110.836 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.27 160.23 61.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 74.35 110.885 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 172.0 13.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 74.12 112.297 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.34 -31.07 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.856 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.2 t -51.55 -30.6 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 73.52 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 p -111.62 -29.93 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.898 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.5 ttp85 -51.34 -53.25 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.904 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -59.29 -28.6 66.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 73.33 111.158 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -73.75 -60.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 63.43 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mt -50.9 -54.36 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.02 111.128 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -21.56 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.886 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.49 -15.66 46.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.51 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -44.12 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 73.15 111.157 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -64.76 -15.05 61.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 60.34 110.954 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -41.33 12.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.26 -19.54 50.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.939 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.75 -28.55 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.05 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -90.05 4.38 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.882 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -108.7 -19.6 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.26 -17.64 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 70.24 110.829 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.21 -18.9 13.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.964 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.85 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 65.51 111.105 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -86.38 -32.28 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.21 -52.44 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.932 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.21 -51.5 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 61.24 111.162 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.42 -27.29 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.51 110.926 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -88.45 -21.6 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.876 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 28.1 mmm -68.96 -66.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.917 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -23.49 30.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.9 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.6 tp -87.91 -24.4 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.893 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.21 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 71.44 111.111 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -18.75 65.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 62.43 110.875 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.69 143.02 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.946 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -75.39 72.89 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.0 139.36 30.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 71.24 111.097 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.75 45.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.108 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.0 t -126.3 25.19 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.51 111.161 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 58.09 43.86 20.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.849 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.3 mt -125.59 25.78 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.896 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.8 t -88.95 -31.34 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -84.77 -33.82 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 70.23 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.75 -42.04 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 71.11 110.886 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.28 -26.09 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 70.44 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.34 110.916 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -57.74 -39.1 76.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.891 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -67.39 -25.26 65.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.916 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.7 ttm -68.29 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.879 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.94 -27.36 66.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.92 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.4 m -67.17 -24.64 65.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 70.04 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.21 -40.55 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.04 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -57.9 -53.46 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.864 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.55 -27.04 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.1 m -58.25 -29.44 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.104 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.74 -23.9 61.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.938 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -94.41 -44.39 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 75.01 111.096 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.2 p -57.84 -26.67 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.42 111.123 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.07 -9.19 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.876 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.26 -18.63 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.118 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -76.22 -59.43 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.934 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -51.72 -29.69 19.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.22 -41.61 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.92 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 tp -52.82 -30.86 35.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.933 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.23 -27.43 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.86 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.38 -57.28 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.074 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.13 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 74.5 111.111 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -51.68 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 72.52 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.18 -39.33 78.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.3 -35.51 65.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.21 111.102 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -24.34 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.97 -27.79 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.11 111.125 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.86 -25.27 28.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.939 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.79 -36.98 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 63.15 111.085 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -54.6 -28.52 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.06 -28.82 69.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.922 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.92 92.63 8.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.2 111.11 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 24.7 t60 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 72.33 110.867 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.787 0.327 . . . . 75.24 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -113.58 36.67 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 61.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 83.62 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.942 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t0 54.52 44.47 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.902 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -87.44 86.94 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 64.23 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -149.75 156.44 41.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 62.4 111.143 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.95 30.41 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 50.34 110.857 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -98.88 81.34 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 72.5 110.873 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.33 25.05 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.878 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.22 -19.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 71.34 111.139 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.1 -33.93 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.52 110.911 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.2 -29.13 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.907 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -96.72 -55.43 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 64.44 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.82 -30.84 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 70.24 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.6 ttp -60.69 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 72.25 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.68 -30.98 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tp -67.56 -45.58 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.955 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.94 -21.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.142 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.78 -52.65 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.908 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.36 64.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 75.01 111.112 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -83.15 -10.89 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.161 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.36 -26.51 21.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.908 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -71.2 -43.05 68.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 54.41 110.929 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 pp -61.83 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -60.33 -20.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.902 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -101.18 -16.51 17.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.837 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -89.64 9.97 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -38.28 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 64.42 110.898 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.7 t -116.06 28.16 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.837 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.34 -40.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -115.41 159.21 39.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 73.11 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.68 23.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 71.51 112.386 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.67 20.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.276 . . . . 73.43 112.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -52.73 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.876 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.64 -30.67 14.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 43.12 112.483 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -45.89 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 71.44 110.965 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.66 -18.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 75.31 111.083 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.62 -22.47 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.03 111.186 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.6 t -89.08 -40.92 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 62.02 111.154 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.37 -24.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 75.32 111.145 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -55.85 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 70.11 110.889 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -67.62 -21.81 65.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 72.03 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.6 t -79.94 -26.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 64.5 111.124 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -9.24 32.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 71.41 112.475 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.11 -8.84 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 73.42 110.887 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.53 -47.1 14.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 65.25 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 pp -61.13 -48.11 83.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.955 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -12.39 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.846 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -94.51 -26.93 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -95.54 -23.62 17.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.896 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mt -53.95 -31.86 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.35 111.139 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.44 -20.79 70.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 63.43 112.505 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.0 p -73.38 -45.77 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 74.42 110.872 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.33 -16.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 75.34 111.12 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.08 -26.04 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 64.11 110.858 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.7 -29.18 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.881 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.39 18.94 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 72.11 110.904 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -50.42 -58.22 10.55 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.596 0.712 . . . . 74.11 110.905 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.82 -6.64 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 73.54 112.348 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -92.03 13.98 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' HB3' ' HD2' ' A' ' 62' ' ' PRO . 11.1 mt -103.79 154.62 37.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 75.44 110.927 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.74 179.21 3.84 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 65.21 112.332 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.83 64.24 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.829 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -168.51 -49.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.14 110.858 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -26.64 22.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 73.44 110.856 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -56.89 -45.21 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.24 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -19.29 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 70.33 111.135 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -78.2 -60.23 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 71.11 110.909 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.65 -51.52 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.09 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.01 -24.06 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.914 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 -10.15 47.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 74.34 112.54 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.6 m -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 72.51 111.111 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.12 -27.19 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.943 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -42.25 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.848 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.15 -17.06 58.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 75.01 110.934 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.58 -25.63 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.935 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -90.24 4.79 49.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 70.24 110.908 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -107.64 -22.78 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 71.41 110.913 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.47 -18.3 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.854 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.19 -17.64 13.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.901 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.77 65.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.3 111.082 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.99 -31.27 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 74.41 110.896 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 tp -67.1 -50.55 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.926 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.8 mt -64.05 -55.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.107 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -52.03 -47.39 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.922 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -65.97 -24.17 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.919 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -68.88 -65.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.874 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -54.45 -27.1 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -78.37 -30.08 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.8 -55.49 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.33 111.079 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -57.35 -23.92 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.888 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.92 141.16 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.912 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -69.92 84.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.914 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.69 95.54 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.13 111.106 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.32 -24.96 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.25 111.136 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -52.58 144.66 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 70.11 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.67 -23.65 52.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.887 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.29 -28.29 27.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.932 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -50.63 60.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.886 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -55.24 -41.77 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 74.24 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 73.54 110.88 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.39 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.22 111.072 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -30.09 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.34 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -96.32 -25.7 15.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.53 110.832 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.17 -26.24 66.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.4 ptm -72.35 -35.33 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.838 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.5 tt -77.64 -21.13 52.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.967 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.8 m -77.09 -20.36 55.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 63.31 111.117 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.0 -26.15 21.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 73.54 111.108 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 94.5 p -61.04 -54.76 40.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 75.24 110.863 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.38 -26.2 39.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.849 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.5 m -59.8 -20.89 59.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.35 111.153 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.98 -24.06 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.5 110.93 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.22 -48.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.158 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.37 -29.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 61.4 111.082 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.25 -44.32 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.891 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.49 -26.46 63.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.114 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.28 -42.73 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 64.04 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.52 -27.66 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.67 -29.83 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 72.25 110.961 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.28 -24.71 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 74.54 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.73 -42.48 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 71.3 110.858 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.98 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.5 -25.11 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.11 111.134 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -54.77 -31.36 58.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.835 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -95.74 -38.53 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.55 111.068 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -27.53 69.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.876 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.31 -41.33 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.117 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.6 mt -75.66 -29.5 59.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.868 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.21 -27.55 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.085 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -117.22 37.3 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.877 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pp -93.2 -30.07 15.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 73.04 110.932 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.09 173.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 72.43 111.084 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.7 p80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.892 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.319 . . . . 74.33 111.105 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -128.41 141.58 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 63.5 110.901 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.46 32.46 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.915 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -112.37 146.5 38.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 63.51 110.839 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -100.92 104.52 15.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.861 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -109.36 141.16 42.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.0 111.095 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -96.64 31.74 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.845 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -56.89 138.91 53.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.885 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -131.34 4.45 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.937 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.34 -6.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.143 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -95.07 -8.34 36.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.916 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.52 -49.56 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.902 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -68.02 -22.86 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -80.26 -29.07 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.32 111.144 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.4 ttp -69.7 -30.78 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 75.42 110.845 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.32 -52.28 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.901 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.9 t -52.34 -28.75 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.17 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -36.49 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 73.35 110.842 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.71 -22.5 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 72.33 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.44 -18.84 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 63.34 111.084 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.88 -30.03 28.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.72 -31.76 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -81.64 -11.9 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 74.3 110.904 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -76.85 -62.75 1.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 65.25 110.919 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.66 -18.82 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.854 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.41 -18.84 59.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -38.76 40.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.51 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -99.37 42.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -153.22 -74.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 74.15 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.43 159.26 61.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 75.15 110.913 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.39 21.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 72.31 112.343 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 75.44 112.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -95.03 24.08 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 71.43 110.837 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -120.92 -16.84 4.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 65.15 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -95.1 -21.05 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 74.54 110.915 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 p -51.51 -34.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.34 111.152 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.23 -23.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 65.14 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.8 t -78.14 -35.67 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.4 t -53.35 -27.56 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.25 111.143 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -57.54 9.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.908 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.45 -37.66 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.903 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.82 -26.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 65.22 111.125 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.27 -9.96 30.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 61.31 112.491 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.05 -16.21 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 74.34 110.881 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 m -76.49 -43.89 37.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.153 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.44 -48.13 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 74.03 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.49 -12.48 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.4 110.84 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.63 -30.52 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.859 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -91.35 -21.12 21.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -55.22 -31.93 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 64.23 111.141 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.13 -14.58 71.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.507 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.69 -38.42 39.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 75.1 110.821 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 t -83.92 -25.78 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.67 -24.97 65.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.914 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.8 -17.06 61.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 pp -116.89 -13.14 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.03 110.895 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 tp -48.99 -57.96 9.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 71.03 110.899 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.77 -8.26 23.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.716 2.277 . . . . 73.5 112.356 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.3 t -101.68 18.55 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.826 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -105.38 160.6 25.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 75.01 110.91 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 75.31 112.307 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.4 p -77.07 67.48 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 t -168.69 -53.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.893 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -96.01 22.53 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.851 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -89.15 -43.74 10.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.855 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -64.57 -23.26 67.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 65.43 111.131 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.02 -59.33 4.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.77 -46.78 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.03 111.173 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -52.58 -35.56 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.865 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.59 -37.84 7.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.471 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.5 m -61.59 -52.51 64.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 70.43 111.135 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.37 -21.52 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -48.5 11.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.52 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -13.83 61.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.894 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.62 -16.35 56.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.929 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -101.14 5.95 42.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -106.32 -33.47 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.951 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.86 -27.37 29.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.02 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.44 -14.69 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 62.52 110.962 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.06 -32.79 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 64.04 111.078 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.96 -30.76 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 tp -65.82 -49.86 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 72.13 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.61 -49.72 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.11 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.09 -35.74 75.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.912 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -72.09 -25.44 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.2 tpp -72.66 -56.39 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 54.41 110.83 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -60.46 -19.12 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -97.78 -22.27 16.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.928 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.52 -58.33 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.09 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -82.6 1.25 39.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.925 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -51.61 161.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.922 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.25 84.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 75.33 110.908 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -117.15 -40.82 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.089 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t 52.27 70.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.178 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.3 m -160.94 149.42 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 73.41 111.149 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -58.79 -27.04 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 65.12 110.875 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.1 tp -55.83 -26.79 48.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.897 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.1 t -53.82 -28.02 32.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.865 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.87 -33.29 49.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.88 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.26 -48.29 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 62.42 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.01 46.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 55.22 111.125 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -69.72 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 73.54 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -56.96 -41.61 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -58.62 -31.71 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ttp -63.0 -50.46 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.848 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 tp -57.98 -27.02 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 73.14 110.94 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 m -76.51 -11.82 59.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 75.5 111.12 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.32 -43.19 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.32 111.031 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -52.98 62.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 64.53 110.858 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -56.2 -25.83 48.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.4 110.837 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.7 m -60.9 -17.3 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 71.51 111.131 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 mp -83.92 -24.28 30.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 72.55 110.909 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.34 -37.33 10.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.01 111.106 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.9 m -50.7 -29.9 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.02 111.102 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -80.07 -44.74 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.879 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.36 -34.81 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.11 111.055 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -68.16 -36.66 80.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 72.24 110.866 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -78.87 -23.65 44.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.894 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -83.36 -39.27 20.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.5 110.87 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -55.56 -62.46 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -55.98 -25.29 43.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.847 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.72 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.051 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 93.0 t -81.55 -25.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 73.34 111.086 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -59.55 -53.61 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 70.44 110.863 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -76.55 -33.07 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.938 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.77 92.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.14 111.15 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -24.44 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.898 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.37 -40.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 62.54 111.075 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.05 -39.99 69.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 60.01 111.108 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -61.08 -35.74 77.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 65.53 110.86 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.9 -28.27 69.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.874 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.68 168.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 62.23 111.131 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 13.7 t60 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.865 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.785 0.326 . . . . 72.04 111.113 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -91.45 141.36 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.872 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.61 28.9 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 73.1 110.936 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -118.7 80.78 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.843 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -105.79 26.79 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.89 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -110.8 176.5 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.148 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -105.52 21.29 17.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 75.25 110.863 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.25 130.54 30.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.866 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.12 14.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -93.4 -19.73 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.134 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -94.2 -5.45 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.951 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -96.15 -49.02 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 75.44 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -72.13 -22.56 61.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.868 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 p -78.38 -26.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 62.43 111.119 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.2 ttp -65.17 -47.82 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 70.33 110.838 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.18 -33.69 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.8 tp -68.02 -49.87 58.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.889 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -67.8 -23.68 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 75.23 111.087 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -82.65 -52.6 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.61 -35.45 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.094 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 p -79.41 -34.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.117 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -25.69 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.922 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.64 -54.02 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.874 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -21.14 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.924 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -58.13 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.912 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.18 -16.95 60.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 75.54 110.885 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -88.23 7.94 29.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.88 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -33.79 76.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 63.54 110.917 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -121.77 26.08 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 63.01 110.856 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -134.73 6.5 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 70.14 110.868 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.6 mt -154.78 155.11 30.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.619 0.723 . . . . 64.42 110.921 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.76 20.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 62.12 112.344 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -12.21 32.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.686 2.257 . . . . 72.34 112.388 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -85.26 -17.21 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.875 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.47 -11.13 72.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 71.53 112.489 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -85.64 -38.06 18.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 73.53 110.917 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.59 -25.99 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 64.11 111.106 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 m -87.49 -23.28 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.13 111.116 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.15 -42.96 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.134 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.8 t -50.12 -29.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.138 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -51.99 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.903 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -78.42 -3.68 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.2 t -95.71 -27.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 71.34 111.163 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.62 -15.77 16.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 52.13 112.46 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -84.56 -8.38 58.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.891 0.376 . . . . 74.23 110.908 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -82.14 -47.67 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.33 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 75.34 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -67.09 -11.98 58.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.87 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -95.64 -34.22 12.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.02 110.959 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -86.58 -26.95 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.94 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mt -54.73 -31.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 64.42 111.088 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.78 66.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 63.23 112.472 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 p -81.37 -38.19 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 74.44 110.86 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.11 -46.52 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.04 111.167 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.74 -30.56 61.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 65.23 110.849 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.73 -23.68 53.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.829 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.04 12.45 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 62.12 110.908 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.76 -58.81 8.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.6 0.714 . . . . 75.42 110.881 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -7.36 20.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 73.33 112.35 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 m -87.86 -4.89 58.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.862 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -131.28 159.89 69.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 74.32 110.899 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.78 162.84 40.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 52.45 112.35 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p -57.43 -24.57 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.35 110.889 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -56.81 -25.33 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.54 110.858 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 m -112.26 -19.67 12.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.873 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.91 -65.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.883 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -55.7 -24.04 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.41 111.136 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.42 -56.65 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.89 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.3 mt -65.25 -52.69 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.42 111.13 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -29.94 23.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.898 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.32 -34.35 8.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 62.14 112.485 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.7 m -70.65 -55.68 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 74.11 111.154 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -59.96 -20.53 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.924 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -46.99 29.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 73.14 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -7.04 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 72.22 110.933 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.86 -14.22 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.894 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -102.17 3.41 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.895 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.44 -16.69 12.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 54.14 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -74.1 -13.03 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.847 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.03 -21.04 12.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.882 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.32 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.131 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -77.82 -26.03 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 72.41 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -70.91 -61.75 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.878 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.39 -43.49 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 73.35 111.118 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.68 -57.68 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.938 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -59.69 -20.76 58.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.883 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -65.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 63.42 110.861 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.97 -25.48 58.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -87.29 -19.63 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.5 83.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.55 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.47 20.62 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 54.24 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.64 153.72 31.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.62 77.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.846 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.32 160.43 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.54 111.098 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.41 -16.71 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.13 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -92.38 16.23 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 61.5 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t 50.7 47.37 24.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.2 110.858 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.3 tt -76.5 -23.93 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.1 p -51.94 -30.88 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.868 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -60.21 -35.21 74.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 55.45 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -86.96 -36.31 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.25 -26.14 67.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.114 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -64.14 -37.55 87.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.877 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -86.86 -19.55 28.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.24 110.848 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -85.67 -17.59 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.858 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 ptp -86.75 -22.46 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.53 110.908 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.51 -24.08 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.933 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -74.32 -18.66 60.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 63.31 111.168 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.61 -39.75 13.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 71.11 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 m -54.86 -45.38 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.888 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -61.0 -27.14 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.4 m -59.91 -22.07 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 64.24 111.131 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.6 mp -80.29 -23.18 40.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.12 -42.23 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.11 111.144 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.1 p -50.87 -30.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.35 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -84.5 -33.14 23.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.86 -13.14 62.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.113 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -92.14 -27.22 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.35 110.862 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.32 -20.44 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.89 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -80.28 -39.35 29.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.898 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.07 -29.9 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.926 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -78.83 -47.44 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.857 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.16 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 55.1 111.127 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.11 -26.9 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.33 111.155 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.22 -36.86 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 75.11 110.902 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.66 -38.1 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.934 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.94 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.14 111.097 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.4 -24.63 63.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.81 -40.2 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.134 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.8 mt -74.01 -21.66 59.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 64.43 110.932 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.16 -33.4 26.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 64.22 111.105 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -62.99 -39.56 95.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.3 mt -70.18 -25.91 63.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 72.45 110.878 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -89.0 160.04 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 51.7 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 74.14 110.873 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.834 0.35 . . . . 73.23 111.124 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -103.38 77.93 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.56 93.64 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 70.21 110.933 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -57.89 102.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 53.34 110.889 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -151.86 143.23 23.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.863 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 p -51.92 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.3 111.146 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.8 t0 55.25 39.92 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.878 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t0 63.51 59.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 73.02 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -83.1 -9.5 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 65.12 110.907 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -54.56 -48.39 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.168 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -80.96 -1.1 42.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.01 -26.48 16.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.03 110.947 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -95.1 -19.07 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.53 -26.74 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.128 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.7 ttm -60.01 -57.9 10.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -51.35 -41.32 60.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 74.55 110.881 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.24 -58.67 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.959 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.85 -21.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.126 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.94 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.851 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.61 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.101 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -93.23 -9.09 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.34 111.181 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.16 -28.01 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.929 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.91 -27.09 61.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 pp -86.13 -2.77 58.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.5 110.909 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -86.04 -62.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.909 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.85 -24.69 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.904 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -93.83 19.13 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.859 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -74.02 -26.8 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -110.25 22.12 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.821 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -118.62 -16.94 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.905 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.66 157.76 74.44 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 73.5 110.89 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.28 19.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 75.45 112.327 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.29 30.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 75.24 112.364 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -91.31 14.54 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.938 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.05 -16.2 5.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 74.25 112.485 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -91.64 -30.32 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 75.4 110.956 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.15 -37.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 72.14 111.153 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.91 -24.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.03 111.113 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.69 -29.96 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 73.03 111.16 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -51.68 -29.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 75.22 111.101 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -52.46 17.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.907 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -67.56 -22.58 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.911 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.9 t -87.23 -25.62 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.12 111.135 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.44 3.67 37.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 70.43 112.478 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -92.01 -22.06 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.368 . . . . 75.14 110.894 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -86.61 -39.19 16.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.099 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -14.05 61.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.03 110.886 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -98.51 -21.02 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.882 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -84.04 -39.24 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.59 -26.32 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.922 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.18 -29.46 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.2 111.124 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.53 -8.56 87.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 74.14 112.472 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 p -91.82 -29.62 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 75.03 110.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 t -97.18 -28.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 72.41 111.125 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.89 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.891 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -79.24 -25.77 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -0.47 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.902 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -48.71 -58.97 7.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.66 0.743 . . . . 65.54 110.924 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 73.22 112.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.5 m -112.01 32.66 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mt -118.24 159.23 44.16 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 73.44 110.937 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.31 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.4 65.16 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -174.85 -70.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 75.2 110.837 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.63 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.846 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -56.28 -25.89 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.827 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.97 -24.3 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.149 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.19 -58.76 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.45 -51.65 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.119 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -53.7 -28.22 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.892 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.57 -12.44 53.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 50.23 112.466 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.0 m -92.32 -57.15 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.694 0.283 . . . . 73.23 111.143 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -51.38 -32.56 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.893 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.89 79.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -13.72 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.916 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 tp -71.08 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.925 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -101.06 4.4 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.52 10.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.923 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -16.47 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.859 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.97 -21.04 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 75.42 110.866 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.92 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.094 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -88.56 -32.43 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.3 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.9 -53.98 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 70.14 110.937 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.7 mt -59.45 -36.41 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 74.23 111.146 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.34 -40.56 89.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.947 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.89 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 51.6 mmm -71.02 -64.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -55.76 -24.17 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.857 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -90.57 -21.7 21.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.85 -49.15 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.098 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 25.69 4.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.955 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.92 158.03 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.927 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.06 82.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -121.49 113.11 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.107 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.22 -26.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.52 111.139 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 t -68.43 163.1 24.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.125 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.3 p -90.94 48.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.919 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.4 tt -95.84 -23.17 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.931 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.4 t -51.91 -30.37 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.835 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -55.3 -48.11 74.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 72.1 110.888 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.69 -34.28 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.86 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.49 -15.17 60.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 61.4 111.124 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.48 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.917 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -33.52 11.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.45 110.861 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.34 -31.6 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 54.02 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ttm -61.32 -58.36 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.885 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.45 -26.83 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.3 m -60.83 -25.65 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.1 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.3 -42.2 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.41 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.16 -52.6 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 70.25 110.895 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -55.62 -31.7 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.83 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.6 m -52.81 -42.98 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 74.32 111.128 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -54.75 -27.26 39.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.918 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.1 -35.09 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.22 111.088 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.47 -29.45 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.13 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.34 -28.69 20.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.45 -37.03 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.101 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -79.1 -50.9 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -56.15 -25.67 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.912 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.0 -37.97 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.95 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.86 -27.44 42.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 71.31 110.924 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.67 -54.1 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.819 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.64 -45.01 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.114 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.9 -34.51 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.151 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.54 -29.96 62.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.869 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -93.62 -40.77 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 65.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -24.61 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 71.24 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 78.0 t -94.25 -28.86 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 53.32 111.105 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.47 -25.53 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.907 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.95 92.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.151 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -59.68 -42.35 92.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.895 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 31.3 mt -64.02 -26.48 68.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.09 146.15 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.51 111.12 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.873 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.796 0.332 . . . . 74.32 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -119.61 106.27 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.859 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -113.71 33.18 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.921 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.96 109.57 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.23 110.908 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -92.16 70.29 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.914 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.6 m -89.0 -19.12 26.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 71.1 111.138 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t0 58.89 22.32 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 71.14 110.863 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.08 164.95 12.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 61.43 110.858 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -123.88 -3.39 8.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.6 m -92.96 -23.49 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.091 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -0.1 55.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.05 110.888 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.77 -50.02 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 63.53 110.948 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -68.95 -20.71 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -79.33 -25.2 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 65.5 111.163 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.6 ttm -60.61 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -52.96 -33.06 49.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.41 110.884 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.5 tp -65.47 -52.89 49.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.938 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.11 -19.12 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 65.52 111.135 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -53.42 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.32 110.828 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.66 38.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 p -87.67 -21.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 73.34 111.108 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -81.12 -30.14 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.75 -37.63 85.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.873 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.28 -15.81 63.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 70.5 110.902 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -69.33 -71.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.906 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.55 -21.56 65.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.71 20.81 8.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.861 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.0 -24.77 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.938 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.2 t -116.41 26.4 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -134.7 11.3 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -151.94 155.93 33.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 75.11 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.78 20.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 75.43 112.309 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.38 3.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 71.22 112.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.28 -20.58 59.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.63 -12.02 67.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 74.42 112.499 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -90.37 -37.42 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 70.14 110.941 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.49 -26.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 72.1 111.136 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.93 -20.58 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 62.54 111.081 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.4 t -85.99 -36.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.35 111.141 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.4 t -52.33 -29.02 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.31 111.132 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -46.87 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.932 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.14 -25.4 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.899 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.92 -24.06 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 71.42 111.136 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.22 -5.54 37.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 53.31 112.476 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -86.59 -14.8 41.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 75.01 110.886 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 m -85.91 -30.79 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.117 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 pp -81.16 -21.73 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.862 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -88.19 -16.66 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.833 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -97.53 -31.13 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.55 110.875 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -25.8 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.929 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.61 -32.01 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 75.23 111.127 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.94 -8.91 62.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 73.53 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.27 -36.98 19.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 71.32 110.895 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -89.17 -39.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 74.05 111.17 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.887 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.7 -28.1 55.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.861 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.3 9.8 42.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.6 mt -51.23 -59.32 7.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 74.15 110.956 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.73 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 73.43 112.353 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -84.03 -6.37 59.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.844 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.04 159.84 62.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 75.15 110.952 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.83 29.62 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.699 2.266 . . . . 74.35 112.408 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.7 p -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 64.34 110.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -34.6 36.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 62.4 110.836 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 m -112.21 -27.45 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 73.43 110.821 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -54.14 -60.57 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -52.15 -29.25 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.23 111.127 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -77.12 -44.8 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.901 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mt -66.86 -48.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.136 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -35.52 46.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 63.31 110.917 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.76 -38.93 7.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 52.23 112.485 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.2 m -62.84 -51.59 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 75.02 111.111 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -59.67 -19.53 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 73.35 110.931 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -50.66 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -16.54 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.905 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.2 -30.3 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -89.35 4.58 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.911 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -108.71 -21.44 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -68.01 -18.71 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.847 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.08 -18.78 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.916 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.36 -30.07 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.084 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -91.97 -31.01 15.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -65.98 -43.81 86.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.4 110.939 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.04 -42.97 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 60.12 111.086 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.61 -23.15 49.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -85.68 -22.07 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.898 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -59.77 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.13 110.869 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.32 -19.12 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.7 tp -97.29 -13.13 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.06 -53.59 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.096 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -99.8 36.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 75.55 110.897 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.413 ' H ' ' NE2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -58.35 -21.31 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.87 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.8 50.54 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.899 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.03 -2.17 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.21 111.087 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.92 76.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 75.02 111.127 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -153.67 156.67 38.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.107 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -69.16 -27.9 65.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.45 110.895 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -33.9 56.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 72.41 110.906 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -24.25 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.53 110.85 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -74.48 -36.45 63.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.41 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 62.24 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.7 -22.38 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.13 111.104 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.58 -38.98 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.885 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -87.64 -38.0 16.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -65.73 -16.29 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.914 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.3 ttm -82.99 -26.69 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 tp -85.34 -37.41 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 75.21 110.906 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 t -63.75 -17.23 62.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.21 111.125 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.19 -33.86 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.31 111.06 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 93.6 p -58.36 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.51 110.819 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -55.17 -26.16 37.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 74.51 110.848 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -61.79 -18.47 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.183 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mp -82.73 -25.39 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.941 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.26 -36.72 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 63.1 111.102 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.95 -28.85 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 64.14 111.144 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.03 -37.86 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.883 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.23 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.23 111.082 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.83 -38.38 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.89 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -74.97 -25.37 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -80.81 -33.17 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.954 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.88 -52.07 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.917 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.07 -28.53 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.882 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.79 -54.64 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.116 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.19 -35.89 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 70.23 111.062 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.47 -33.34 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -90.74 -24.44 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.59 60.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 70.11 111.125 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -59.13 -21.62 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.5 t -76.8 -43.37 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.113 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -75.15 -18.9 60.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.896 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.46 -27.16 58.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 75.14 111.116 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -59.32 -47.39 85.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.922 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.6 pp -53.49 -28.42 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 75.41 110.927 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.47 107.28 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 64.14 111.056 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 11.6 p80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 65.35 110.822 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.779 0.323 . . . . 71.21 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -92.27 101.59 14.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.71 28.11 8.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 74.03 110.881 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.66 152.51 27.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.853 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -147.32 132.5 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 72.05 110.876 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 p -149.35 144.29 26.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 72.52 111.16 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.17 -39.19 63.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.897 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.65 74.17 2.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.848 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.79 -34.5 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 70.14 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -68.44 -12.0 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 73.42 111.119 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.58 -21.36 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.929 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.9 -19.09 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 75.2 110.924 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -100.17 -21.25 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 61.21 110.872 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -85.4 -24.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.25 111.127 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.1 ttp -77.25 -22.25 52.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.835 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -74.19 -35.2 63.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.35 110.938 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 tt -73.23 -40.86 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.921 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.43 -18.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.147 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -88.03 -56.4 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.0 -23.76 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.125 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.81 -14.48 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 71.12 111.109 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -87.65 -29.42 21.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 64.12 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -23.77 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.886 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 pp -88.33 -2.75 58.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.941 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -81.7 -55.21 4.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.903 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -77.33 -22.28 52.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -81.51 -0.55 42.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 65.42 110.863 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -42.11 62.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.95 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -106.01 46.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -48.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.949 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.36 158.92 43.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 72.01 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.19 22.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 74.42 112.363 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -30.68 22.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 73.52 112.363 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -53.66 -36.99 62.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 72.35 110.9 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.97 -9.16 77.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 63.51 112.528 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -85.16 -38.32 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.412 . . . . 72.43 110.912 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.92 -31.08 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 73.53 111.15 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.6 m -81.46 -19.15 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.108 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.1 t -91.08 -34.8 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 71.21 111.114 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.53 -29.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 73.32 111.15 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -42.89 71.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.13 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -69.48 -27.11 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.8 t -85.57 -20.54 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.31 -5.04 37.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 70.22 112.5 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 mt -90.34 -23.67 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 73.01 110.962 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 m -67.84 -46.06 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 64.35 111.18 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 pp -61.02 -49.8 75.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.904 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -67.92 -12.31 60.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.854 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.86 -27.0 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 75.35 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -95.05 -20.75 19.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.917 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -54.58 -32.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.11 111.134 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.65 -17.46 72.98 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.48 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 m -74.94 -29.35 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 75.51 110.873 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -96.69 -35.08 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.137 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.61 -35.65 68.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -62.45 -19.33 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.867 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.89 24.6 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.86 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -60.79 -59.2 14.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 75.35 110.918 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.72 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 73.02 112.395 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -68.07 -15.11 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.901 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -91.83 154.42 43.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 71.55 110.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.99 3.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 72.52 112.335 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -77.55 61.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.854 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -170.29 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 53.55 110.838 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -98.79 -24.33 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.859 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -57.73 -30.85 65.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.35 110.817 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 m -70.54 -24.1 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 73.5 111.149 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.68 -59.92 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.43 -42.61 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 72.24 111.101 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -15.52 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.936 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.85 -19.07 18.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 75.5 112.481 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.34 -39.03 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.714 0.293 . . . . 72.03 111.136 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -69.79 -11.14 60.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -39.66 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.922 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.62 -16.93 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.908 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.95 -34.3 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.93 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -86.18 4.79 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.873 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -108.0 -20.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.77 -19.8 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.863 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.83 -17.24 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.64 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 63.14 111.105 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.45 -30.6 17.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.35 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.28 -49.94 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.02 -41.38 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.4 111.125 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.02 -34.07 76.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.851 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -72.91 -25.36 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.867 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 74.2 mmm -71.02 -60.35 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.865 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -56.73 -23.51 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 73.41 110.85 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 tp -90.51 -27.54 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.916 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.29 37.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.1 111.085 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.74 31.46 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.935 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -94.6 20.64 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 51.91 39.42 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.847 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.44 139.7 24.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 61.42 111.076 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.39 65.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.13 111.129 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 t -121.04 -7.89 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 70.21 111.139 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 63.43 27.32 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 65.44 110.874 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.4 -75.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.44 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.4 m 50.85 25.67 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.855 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -101.39 -54.33 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 70.15 110.877 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.12 -42.34 85.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.92 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.92 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.23 111.107 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -75.03 -33.0 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.933 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -87.91 -23.49 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -74.63 -43.93 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.898 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.7 ptp -52.67 -35.81 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 72.15 110.867 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tp -76.42 -40.68 50.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 71.24 110.872 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m -58.55 -21.88 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.06 -36.26 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 74.03 111.069 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 m -56.97 -53.44 57.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.863 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -55.27 -27.73 48.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 75.25 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -58.0 -22.95 52.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 75.5 111.183 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.17 -23.37 43.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.929 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.12 -40.06 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.51 111.087 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.3 p -52.39 -28.99 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -80.72 -33.41 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.885 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.03 -15.18 62.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 71.43 111.137 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -82.82 -64.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -53.63 -28.23 31.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.893 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.13 -39.7 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.898 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.3 tp -51.7 -37.87 52.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 70.22 110.933 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -80.26 -27.29 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 64.33 110.84 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.54 -61.9 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.092 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.52 -29.26 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.169 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -62.87 -29.62 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.844 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -102.85 -25.47 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.941 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.03 -47.82 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.12 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -55.48 -25.07 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.23 -36.28 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 60.13 111.167 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.06 -18.79 63.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.98 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.04 -30.49 15.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 63.44 111.118 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -84.56 -42.19 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.864 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 42.1 mt -66.01 -25.01 66.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 70.02 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -51.51 140.36 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 63.05 111.1 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.883 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.738 0.304 . . . . 74.24 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -147.53 113.57 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.829 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.87 88.18 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.875 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.94 30.97 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.85 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -79.41 72.87 6.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.2 p -145.1 -178.2 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.43 111.136 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -95.54 33.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 60.4 110.846 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -51.88 137.18 26.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.837 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 tp -116.25 -19.47 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 65.15 110.914 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 t -88.86 -13.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.1 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.93 -24.82 16.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 71.31 110.924 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -72.28 -22.33 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.937 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.99 -46.79 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.36 -25.81 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.129 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.4 ttp -69.34 -45.4 69.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.81 -32.88 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 tt -79.43 -50.58 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 73.1 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.6 -21.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.3 111.068 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -90.41 -46.63 8.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.855 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.87 -16.31 62.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 64.14 111.081 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.08 -18.89 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 75.11 111.121 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -86.02 -29.39 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.943 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -70.06 -23.09 63.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 70.03 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -88.75 -3.24 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.945 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.1 -21.68 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -92.58 0.21 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.915 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -43.24 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 75.54 110.903 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -93.1 43.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 63.12 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -134.36 -40.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 72.52 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -129.01 159.85 66.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 74.43 110.908 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.3 Cg_endo -69.8 169.2 19.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 71.04 112.341 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.94 37.18 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.7 2.267 . . . . 73.44 112.348 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -71.02 -15.57 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.875 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.02 -30.05 8.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.673 -0.775 . . . . 73.33 112.462 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.96 -30.79 64.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.845 0.355 . . . . 74.13 110.9 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.16 -30.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 75.13 111.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.23 -29.67 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 74.24 111.104 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -72.36 -37.43 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 65.11 111.129 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.4 t -55.71 -24.84 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.32 111.101 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -52.32 39.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.923 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -71.91 -20.77 61.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.881 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.4 t -84.19 -23.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 71.44 111.081 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.14 -14.61 20.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 64.41 112.522 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -84.31 -4.74 59.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 71.3 110.92 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -84.27 -47.65 10.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.138 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.46 -47.22 85.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 73.03 110.902 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -67.41 -12.64 60.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.912 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -96.53 -29.91 13.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.1 -22.04 20.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.898 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -54.86 -33.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.25 111.097 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.28 -13.06 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 72.3 112.492 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 m -86.87 -28.33 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 74.43 110.823 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 t -97.82 -31.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.42 111.139 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.92 -17.94 60.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.857 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.38 -23.83 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.14 110.85 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.75 4.61 47.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.92 -60.0 6.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.738 . . . . 71.32 110.922 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.83 -8.39 23.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 64.11 112.346 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -101.32 0.64 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.851 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.03 160.39 29.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 65.12 110.942 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -174.99 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 71.42 112.315 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.7 p -94.24 53.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.02 110.843 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -149.94 -46.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -100.45 -20.93 15.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.855 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -52.78 -50.21 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 74.01 110.858 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 m -71.24 -9.69 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.12 111.148 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.47 -47.0 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.883 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.3 -39.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.13 111.133 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -53.08 -35.37 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.845 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.56 -2.3 65.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 64.51 112.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.4 m -96.18 -43.31 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 74.54 111.118 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -61.65 -17.58 56.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -40.59 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.92 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -24.0 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.885 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -61.92 -17.43 56.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.891 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.77 4.29 54.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 64.5 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -101.83 -28.94 12.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.91 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.27 -27.64 67.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.918 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.85 -7.01 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.948 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.069 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.25 -30.79 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.02 -54.12 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.896 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.28 -49.36 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.115 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.68 -25.73 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 64.44 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -80.1 -26.55 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 53.0 mmm -69.12 -56.5 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.855 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -61.57 -17.96 57.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.902 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 tp -98.25 -17.28 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.874 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.06 -22.51 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 52.32 111.097 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -126.19 26.66 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.93 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.02 168.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.912 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.87 59.37 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.01 110.878 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 -174.89 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.114 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.81 58.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -110.24 174.74 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.142 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.7 p -98.73 -24.85 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.826 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.42 -28.02 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.937 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -25.68 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.81 -36.06 69.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.848 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.27 -33.84 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.06 -23.06 64.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.25 111.073 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.79 -34.69 78.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -89.29 -20.89 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -87.36 -24.08 24.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 65.25 110.921 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.5 ptp -75.13 -26.86 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.852 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -25.74 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 70.22 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -24.7 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.23 111.155 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.26 -30.43 19.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 64.43 111.097 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -57.53 -56.86 16.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.851 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -54.44 -26.33 30.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 70.43 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.9 m -59.7 -20.5 56.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.33 111.104 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.9 -23.97 48.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.908 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.12 -49.09 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.085 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.7 p -51.62 -29.29 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.137 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.82 -29.13 19.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.01 110.86 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.56 -24.24 62.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.42 111.123 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -76.86 -26.05 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -70.3 -29.34 66.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.55 -40.69 34.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.916 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 tp -54.27 -38.58 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.915 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -31.53 71.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.03 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.099 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 m -57.58 -27.58 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 64.34 111.106 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.75 -52.6 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 62.44 110.875 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -76.29 -27.14 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.916 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.45 -42.92 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.076 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -23.67 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.905 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.8 -36.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 72.45 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 65.1 mt -81.17 -26.21 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 61.11 110.908 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.22 86.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 71.31 111.093 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.2 -35.06 79.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 71.42 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.66 -25.62 68.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.906 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.53 166.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 75.25 111.092 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 14.3 m170 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.84 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.796 0.331 . . . . 74.13 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -113.36 61.64 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.88 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 pp -122.85 27.15 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.9 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -119.37 26.18 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.907 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 58.96 43.59 17.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.853 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.5 t -84.91 -1.07 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.18 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -103.45 -28.56 11.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 64.11 110.868 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -103.5 117.64 34.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.35 24.71 4.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.32 110.944 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.9 t -88.04 -43.42 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 71.14 111.141 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -18.15 58.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.9 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -73.42 -18.79 61.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.918 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -99.95 -46.81 5.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.34 110.887 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 m -51.84 -29.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.52 111.152 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.2 ttm -59.01 -63.49 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 73.11 110.899 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -51.88 -29.95 21.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.844 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.9 tp -70.98 -54.41 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.924 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.35 -22.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.2 111.153 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -80.51 -52.57 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.62 -36.73 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 73.11 111.143 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.0 p -77.32 -22.32 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 73.35 111.157 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -72.74 -29.93 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 75.44 110.954 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.53 -51.92 37.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.937 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.67 -22.07 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.05 110.904 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -71.9 -69.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.88 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.64 -26.3 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 62.24 110.864 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.96 20.41 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.32 -25.3 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 74.54 110.958 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.3 t -108.21 43.87 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -134.53 -41.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.09 160.29 31.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 74.54 110.93 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.37 21.76 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 74.21 112.352 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 75.53 112.285 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -97.1 22.58 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.907 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.44 -37.36 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 74.14 112.504 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.62 -14.7 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.898 0.38 . . . . 74.14 110.934 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.99 -12.52 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 74.02 111.129 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -93.55 -33.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 75.2 111.13 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.12 -24.99 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.54 111.1 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.86 -18.78 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.15 111.089 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -58.34 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.913 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -66.88 -21.32 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.3 110.859 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.5 t -83.93 -27.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.51 111.122 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.13 1.54 37.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 62.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 mt -96.82 -20.98 17.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.364 . . . . 75.22 110.885 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -16.52 60.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.33 111.114 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.17 -42.33 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.907 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -13.97 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.869 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -39.97 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.39 -25.68 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.939 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.132 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.57 -12.19 58.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.744 . . . . 75.43 112.476 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.5 p -85.58 -47.44 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 75.3 110.857 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.13 -18.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 73.1 111.136 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.87 -22.81 39.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 62.24 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -58.78 -32.87 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 71.15 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -119.0 18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.916 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -51.07 -57.48 13.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 74.1 110.906 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.76 -6.34 18.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 53.54 112.321 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -91.67 14.69 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.865 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 62' ' ' PRO . 4.0 mt -110.13 156.35 40.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 74.12 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.73 -168.66 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.25 . . . . 61.42 112.323 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -89.3 11.16 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 53.32 110.84 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 t -120.23 -17.63 8.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 75.23 110.839 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -112.29 -37.05 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 73.11 110.851 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -54.26 -47.42 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 73.55 110.883 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -60.04 -20.43 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.1 111.09 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.03 -60.7 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 61.32 110.927 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.24 -46.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.126 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.14 -22.1 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.52 -11.28 33.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 75.15 112.468 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.9 m -95.76 -48.29 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 72.44 111.123 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -59.64 -21.63 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.943 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -39.96 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.895 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -18.13 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 65.44 110.922 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.15 -25.7 64.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.883 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -91.97 4.73 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.6 -24.02 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.44 110.876 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.44 -23.12 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.41 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.24 -10.35 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.896 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.88 -27.19 68.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.101 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.2 -28.73 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 75.14 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 tp -69.29 -44.75 71.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.41 110.91 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.37 -34.31 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.51 111.142 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.49 -55.59 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -68.6 -15.54 63.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.14 110.885 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 tpt -69.63 -67.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.32 110.885 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -58.08 -22.16 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.882 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.72 -17.01 27.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.956 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.37 -35.35 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.25 111.093 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.2 24.56 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.863 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 149.66 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.913 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -100.94 80.19 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.917 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -144.45 149.44 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.03 111.106 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.29 -22.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -51.59 135.25 28.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 71.45 111.12 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -77.52 -16.19 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.881 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.87 -29.68 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 73.53 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -51.76 -30.3 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.62 -39.29 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 64.51 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.73 -26.67 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.911 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.95 -24.38 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.04 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -55.7 -59.47 4.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.924 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -70.79 -31.42 68.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -74.6 -7.3 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 65.32 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.82 -52.86 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.904 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.26 -23.93 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.939 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -66.46 -24.5 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.53 111.123 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.71 14.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 65.2 111.103 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.1 p -55.55 -50.58 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.838 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -53.3 -33.33 52.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.863 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 m -53.28 -40.94 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 75.02 111.138 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.51 -25.12 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.91 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.67 -44.66 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 73.35 111.098 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.1 t -57.99 -23.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.03 111.096 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -90.04 -14.68 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.848 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.22 21.79 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.21 111.12 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.18 -60.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.932 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -61.54 -18.66 60.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -78.36 -30.49 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.26 -41.48 84.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.867 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.87 -27.56 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.857 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.38 -50.32 53.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 62.52 111.093 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.02 -33.18 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.14 111.115 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.0 -28.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 63.25 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -104.18 7.47 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -108.44 -41.39 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 70.33 111.086 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.79 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.916 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.7 t -84.19 -39.11 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 64.5 111.147 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.09 -24.08 65.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.11 -23.64 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.123 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -115.42 28.11 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.903 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 pp -79.67 -25.82 41.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.909 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.29 168.32 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.08 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.83 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.778 0.323 . . . . 64.5 111.085 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -115.28 67.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.91 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.77 40.45 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.958 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.5 146.79 31.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.84 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 60.28 29.21 18.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.834 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.3 m -113.82 141.27 47.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 71.54 111.158 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -119.68 -36.29 3.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.857 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -88.17 50.71 2.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.853 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -99.23 -20.6 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.934 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -54.48 -26.26 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 73.51 111.157 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.99 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.918 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -74.64 -28.53 60.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 72.35 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -86.71 -55.13 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.01 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.3 t -52.3 -28.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.115 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.0 ttm -56.76 -53.74 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.9 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.83 -23.59 63.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 75.13 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.0 tp -68.7 -47.72 65.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.953 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.2 -24.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 70.12 111.111 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.51 -51.56 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.891 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.91 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.118 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -78.35 -18.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.11 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.0 tp -81.48 -27.53 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -71.25 -38.1 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.94 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.913 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -74.53 -50.46 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.914 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -76.85 -24.48 52.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 70.34 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.91 -5.12 47.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.843 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -36.84 45.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.885 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.6 t -117.15 46.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 65.01 110.822 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -144.85 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -112.04 155.88 42.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 75.22 110.874 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 168.7 20.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 64.33 112.305 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.87 35.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 72.31 112.374 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -73.19 -14.13 61.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.886 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.81 -37.15 6.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 74.41 112.532 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -57.62 -36.51 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 73.51 110.865 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.3 p -56.84 -24.22 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 71.41 111.14 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.25 -22.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 65.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.11 -45.94 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.131 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.1 t -51.16 -30.13 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.52 111.087 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -51.06 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.923 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -71.43 -24.04 61.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.15 110.87 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.8 t -79.53 -25.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.51 111.125 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.8 30.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 63.45 112.455 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 mt -83.92 -16.09 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 75.42 110.874 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -50.06 16.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 75.35 111.168 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.07 -45.82 91.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 73.1 110.877 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.74 -12.94 61.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.864 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -96.83 -23.7 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.912 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -101.02 -11.24 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.912 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.3 mt -64.19 -30.36 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.33 111.104 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.82 0.29 82.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 64.02 112.518 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 t -92.81 -30.32 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 54.51 110.844 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.75 -0.87 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 62.14 111.154 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -86.76 -27.12 23.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.45 110.857 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.1 -8.58 56.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 63.04 110.837 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.91 -9.41 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.906 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.6 mt -47.65 -59.98 4.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 74.42 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.77 -8.68 24.22 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.256 . . . . 75.11 112.344 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -110.53 31.2 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 62.23 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.32 158.85 47.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.569 0.7 . . . . 73.14 110.962 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.19 19.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 72.41 112.345 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.1 m -80.26 58.59 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 75.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -162.85 -40.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 62.44 110.853 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -96.73 -33.31 11.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.84 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.01 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.858 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -58.14 -26.43 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.43 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 72.32 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.74 -45.06 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 73.2 111.126 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.72 -29.12 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.926 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.41 -31.78 6.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 53.35 112.452 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.3 m -66.87 -45.16 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 63.55 111.107 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.71 -20.22 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 64.31 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -45.3 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.4 110.873 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.59 -13.54 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 71.43 110.932 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.51 -16.79 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.926 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -102.03 5.0 40.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.863 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.47 -35.33 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.901 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.2 -26.75 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.94 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.84 -14.58 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.926 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.68 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 53.45 111.121 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -89.29 -29.92 18.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 tp -66.08 -49.11 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 72.04 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 mt -59.08 -41.18 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.129 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.53 -54.88 42.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.886 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -61.34 -19.11 61.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 73.15 110.896 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -65.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.91 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -57.41 -22.89 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.02 110.833 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.1 tp -91.46 -17.31 25.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 72.1 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.3 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 74.24 111.063 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.15 23.85 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.928 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 150.14 29.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.955 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -108.41 70.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.891 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.62 -169.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 65.13 111.103 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.7 p -114.5 23.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.121 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 m -53.87 148.08 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 73.54 111.181 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.4 m -88.56 -18.16 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 71.12 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 tp -100.45 -73.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.891 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 p 54.1 22.88 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 75.02 110.85 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -100.69 -45.77 5.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 71.51 110.882 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -55.58 -32.86 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.915 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.54 -18.02 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.1 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -90.87 -43.41 10.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.69 -26.52 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.862 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -74.9 -13.64 60.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.6 ttm -87.31 -26.8 23.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.882 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.01 -32.82 19.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.44 110.889 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -66.03 -22.19 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.157 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.62 -36.85 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.126 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.0 p -56.69 -54.61 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.24 110.87 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -52.82 -30.89 35.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 m -53.87 -33.24 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.42 111.13 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.06 -39.05 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.908 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.92 -31.14 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.102 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.6 t -56.83 -23.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.116 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -91.01 -44.61 9.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 72.12 110.895 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.47 -25.41 36.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.41 111.064 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -67.56 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.868 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.49 -25.96 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -43.38 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.956 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.0 tp -53.8 -27.83 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.42 110.951 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.63 -26.29 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 62.11 110.896 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.65 -59.74 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.33 111.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 23.4 t -59.56 -34.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.103 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.31 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.13 110.893 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -97.16 -28.07 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 63.54 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.49 -50.17 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.128 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.21 58.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.14 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.7 t -86.06 -25.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 63.45 111.148 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -33.08 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.929 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.03 -29.69 22.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.074 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -110.2 35.12 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 72.02 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 pp -87.75 -30.01 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 70.13 110.894 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.34 114.82 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.05 111.119 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.766 0.317 . . . . 74.42 111.062 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -79.03 110.09 13.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 73.53 110.856 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 26.7 mt 55.45 53.59 9.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.887 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.67 90.41 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.911 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -125.87 124.66 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.865 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 t -155.78 165.17 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 75.54 111.107 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -94.32 40.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 62.1 110.835 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -87.51 85.29 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 63.22 110.91 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.26 -30.61 28.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.22 -36.99 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.02 111.155 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -18.7 51.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 74.32 110.916 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.58 -18.16 61.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 63.03 110.928 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -100.33 -47.67 4.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.4 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.1 m -51.48 -29.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 62.52 111.139 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttp -60.37 -58.76 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 65.2 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.71 -36.8 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.45 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.54 -45.7 93.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 75.43 110.932 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -68.15 -20.44 25.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.22 111.125 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -85.46 -50.19 7.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.881 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.93 -24.53 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.142 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -93.24 -8.92 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 74.11 111.139 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 -26.61 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 72.15 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.28 -30.41 62.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.859 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.49 -2.8 56.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 72.32 110.931 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -81.84 -61.15 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.936 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -71.95 -22.86 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.44 110.849 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -90.05 11.66 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.2 -25.4 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -109.28 44.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.839 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -135.72 -51.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.34 110.942 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.3 160.68 28.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 75.13 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.24 19.36 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 73.43 112.353 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -8.64 24.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 74.41 112.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -78.26 -3.53 43.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.45 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.16 -47.2 1.09 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 40.33 112.447 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -53.28 -30.47 38.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 72.55 110.926 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.39 -25.79 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 63.01 111.152 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.45 -29.19 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.51 -25.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.132 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.23 -17.11 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 54.22 111.169 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -54.63 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.918 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.39 -23.89 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.917 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.5 t -80.27 -26.49 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 54.42 111.123 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.24 -4.44 38.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 63.11 112.486 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -92.12 -6.59 50.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 65.23 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -28.28 19.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.068 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.8 -32.48 21.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 70.14 110.95 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -77.79 -14.71 59.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.874 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.85 -35.14 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.3 110.929 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -24.04 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.901 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.2 mt -59.34 -27.8 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.5 111.149 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.94 1.47 74.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 62.12 112.459 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.87 -27.78 13.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 74.44 110.878 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -97.86 -23.84 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 70.11 111.144 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.28 -20.86 60.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.851 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -73.33 -12.13 60.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.887 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.01 -2.8 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 62.31 110.923 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.1 mt -49.27 -59.71 6.07 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.645 0.736 . . . . 74.13 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.83 -7.58 21.43 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 74.43 112.321 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -113.66 25.26 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.904 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.64 159.0 43.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 75.51 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -174.89 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 73.44 112.373 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.3 p -92.02 51.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -152.63 -47.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.856 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 m -92.99 -34.81 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 64.11 110.846 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -52.52 -44.92 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -71.55 -19.73 62.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.32 111.137 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -60.78 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.12 110.876 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.9 mt -54.53 -41.17 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.5 111.144 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.39 -35.25 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.44 -8.81 59.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 61.21 112.526 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.4 m -93.37 -49.26 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 75.31 111.11 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.17 -32.67 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.1 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.875 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -20.37 65.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 75.11 110.92 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.85 -19.75 60.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.924 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -94.81 4.58 53.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.858 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -103.38 -24.76 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 70.24 110.879 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -65.22 -24.7 67.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 74.55 110.887 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -12.16 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.953 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.81 -32.32 73.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.141 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -88.64 -32.1 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.53 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.76 -53.45 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.884 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.87 -42.7 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.153 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.35 -29.89 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -76.1 -24.05 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 73.05 110.916 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.9 tpp -72.44 -57.07 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.877 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -60.5 -18.6 52.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.3 110.848 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp -98.28 -20.95 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.883 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.83 -57.8 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.34 111.095 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -79.06 -2.05 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 62.43 110.927 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.88 154.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -74.32 83.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.65 170.15 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.42 111.106 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.91 30.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.104 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -149.17 170.42 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.172 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -75.79 73.27 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.833 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.0 tp -113.58 -25.52 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -52.01 -43.0 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.11 110.894 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -65.27 -39.18 92.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 65.55 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.51 -50.66 57.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.877 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.65 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.047 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -58.02 -49.04 78.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -78.02 -39.65 41.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -62.77 -26.47 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.933 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.8 ttp -65.12 -61.13 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -24.38 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.952 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.8 m -63.34 -24.47 67.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 75.44 111.132 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.42 -27.66 18.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.09 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -60.85 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.857 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -51.17 -34.58 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.76 -41.01 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 75.25 111.127 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.87 -18.26 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.913 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.05 -32.59 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 61.1 111.084 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.8 t -80.45 -24.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.51 111.111 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.32 -12.41 60.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.877 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.64 -21.4 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.23 111.091 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -87.9 -35.83 17.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.869 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -61.97 -34.82 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.15 -49.54 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.65 -33.27 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.877 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.43 -43.2 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.898 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.85 -23.39 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.104 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.7 -36.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 75.53 111.141 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -51.22 -51.17 56.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.858 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -69.66 -27.08 64.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.17 -50.71 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.15 111.126 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.77 -23.78 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 63.24 110.947 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -81.14 -39.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 74.12 111.107 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.8 -26.04 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.02 110.883 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.15 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.087 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -69.35 -40.88 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.899 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.39 -26.33 68.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.52 110.905 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.15 134.47 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 53.42 111.098 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 20.9 m80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 65.41 110.904 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.796 0.331 . . . . 73.31 111.089 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 58.86 49.65 9.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 64.1 110.879 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -118.53 37.19 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.893 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.95 62.02 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 74.54 110.861 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -65.27 100.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.874 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.6 132.03 56.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.22 111.119 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -117.95 49.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.861 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -131.47 119.24 21.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.15 110.906 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.98 -24.15 51.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.936 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -56.56 -26.43 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.159 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.25 -19.54 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.947 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.42 -15.85 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.932 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -100.73 -42.83 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 m -65.29 -30.27 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.111 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -58.92 -40.82 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.18 -29.06 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.884 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -78.54 -50.52 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.928 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.62 -25.21 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 73.24 111.117 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -85.24 -36.39 20.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.87 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.8 -19.58 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 71.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -93.08 -18.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.164 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -85.38 -25.23 27.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.11 110.934 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.77 -16.14 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 73.43 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.13 -6.2 53.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.931 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -91.36 -53.24 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.945 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.64 -12.69 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 73.11 110.843 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -101.91 -0.78 33.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.15 110.889 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -36.76 46.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.92 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -99.1 42.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.869 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -131.57 -59.37 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.99 160.69 29.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 73.34 110.903 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.01 19.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 75.34 112.322 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -35.33 12.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 72.42 112.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.35 -35.13 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.891 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.69 -9.69 80.71 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.766 -0.73 . . . . 64.04 112.459 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.97 -20.49 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 75.43 110.927 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.24 -18.44 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 72.54 111.095 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.26 -10.57 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.137 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -24.95 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.13 111.174 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 t -70.02 -10.47 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.3 111.15 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -50.35 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.04 110.895 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -74.99 -29.84 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.36 -25.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 71.3 111.112 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.18 -37.5 4.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 73.21 112.497 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.1 -38.6 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 74.42 110.914 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -29.13 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 61.44 111.161 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -31.56 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.957 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -91.04 -11.59 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.875 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -97.05 -14.2 21.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 64.11 110.911 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 pp -98.66 -34.81 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.943 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.22 -27.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.31 111.13 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 4.82 78.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 65.33 112.455 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -111.03 -25.3 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 73.51 110.833 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.2 -31.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.16 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.7 -14.04 62.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.24 110.903 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.21 -18.62 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.02 -6.19 22.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.905 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -48.24 -59.66 5.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 74.24 110.985 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.82 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 75.33 112.349 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 t -113.66 23.67 12.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.896 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 mt -115.65 158.69 41.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 74.13 110.898 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 75.33 112.355 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -94.01 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.85 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.7 t -159.81 -53.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 73.03 110.836 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 p -79.33 -36.44 39.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.835 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -57.85 -45.13 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 73.4 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -61.14 -26.43 67.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.135 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -75.95 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.01 110.869 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mt -55.97 -50.11 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.14 111.132 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.97 -26.56 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.892 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.11 -12.19 50.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 70.31 112.479 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 m -92.53 -50.31 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.724 0.297 . . . . 72.03 111.118 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -62.16 -17.33 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.872 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -28.64 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.89 -18.36 29.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.892 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.54 -38.71 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.12 110.968 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -73.04 -8.3 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.6 -13.4 22.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.889 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -76.81 -24.36 52.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.92 -3.3 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 72.52 110.897 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.04 111.128 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -90.94 -27.71 18.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.03 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.23 -47.94 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.6 mt -64.83 -45.14 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.086 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.89 -41.35 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -88.36 -13.05 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.907 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 tpt -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.5 110.887 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -98.15 -9.82 25.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.7 tp -98.13 -31.61 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.928 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.96 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 71.12 111.116 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.35 -16.97 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 75.33 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -51.66 141.78 15.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 74.25 110.876 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.17 65.01 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.34 129.04 34.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 74.01 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.63 -40.37 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 74.12 111.155 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -60.29 166.52 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 70.12 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.96 31.76 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.67 -22.31 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 75.5 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.6 t -51.82 -30.32 22.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.85 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -70.97 -45.88 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 75.21 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -40.75 89.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.8 -28.26 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 72.13 111.129 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -60.23 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -30.54 71.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.873 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -71.53 -26.4 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.953 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.6 ttm -69.76 -55.46 9.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 65.24 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.49 -24.74 48.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 71.22 110.923 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -74.8 -23.72 58.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.163 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -93.18 -24.14 18.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.108 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.08 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.838 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -50.88 -31.04 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 62.24 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -29.01 51.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 75.15 111.133 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.26 -31.07 65.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.922 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -86.55 -40.2 15.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.093 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 46.5 t -51.21 -35.67 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 72.45 111.132 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.54 -48.34 19.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.02 110.857 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.9 47.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.106 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -79.58 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -62.3 -17.29 58.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.918 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.39 -29.44 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.848 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.08 -28.97 69.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.949 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -83.96 -31.78 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.88 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.08 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.53 111.097 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.8 m -88.44 -27.95 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 75.31 111.152 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -52.6 -52.21 56.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.01 110.858 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -67.54 -25.42 65.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.55 110.906 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.57 -46.32 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.4 111.127 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -23.89 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.5 -24.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.32 -30.74 67.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.862 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.68 71.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 71.03 111.106 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -58.86 -25.79 63.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.01 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.07 18.76 15.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.53 110.907 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.61 149.7 36.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.34 111.084 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.3 t60 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.888 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.762 0.315 . . . . 63.12 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -112.9 105.24 13.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.03 9.61 40.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.911 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -57.6 171.18 0.48 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 62.14 110.894 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -102.25 109.25 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.881 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 p -85.83 127.85 34.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.134 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -127.85 43.76 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.879 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.31 171.57 8.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.51 110.88 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -126.1 11.06 7.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.93 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -93.23 -36.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.102 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.29 -13.52 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 63.21 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -92.68 -47.31 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 71.25 110.897 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -71.65 -21.33 61.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.897 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.84 -27.27 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 75.24 111.142 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ttp -62.8 -53.39 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.59 -32.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 tp -69.52 -42.01 75.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 72.35 110.901 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.16 -23.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 65.14 111.109 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.71 -52.27 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.5 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.29 62.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 64.33 111.077 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -81.14 -22.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.152 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.66 -28.23 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -32.67 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.76 1.15 50.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.31 110.89 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -99.99 -23.81 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.921 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -101.87 1.62 37.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -109.23 -0.7 19.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.15 -37.85 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 73.5 110.923 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -107.43 45.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 70.45 110.843 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.58 -42.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.921 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.49 160.85 57.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 65.31 110.926 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 169.06 19.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 74.32 112.306 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.73 26.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 72.22 112.359 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.94 -27.97 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.07 -20.19 24.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 71.41 112.48 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -73.78 -30.55 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 72.12 110.927 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.71 -33.76 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.55 111.096 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p -93.12 -18.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 72.53 111.101 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.0 t -76.25 -40.24 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.152 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.5 t -56.75 -23.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.54 111.128 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -52.06 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.913 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -72.84 -23.74 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 73.23 110.91 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.11 -22.96 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 62.53 111.117 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.33 -15.68 16.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 73.21 112.49 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.73 -4.28 57.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.957 0.408 . . . . 65.21 110.946 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.65 -50.91 7.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.092 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.08 -48.52 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.948 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -64.69 -14.84 60.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 65.43 110.881 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -90.41 -30.17 17.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.841 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.53 -30.28 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.946 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.3 mt -56.71 -27.55 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.133 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.78 3.92 77.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 54.35 112.471 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 p -105.7 -25.53 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 61.3 110.926 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.2 -22.56 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.13 111.134 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.85 -19.37 64.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.898 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.81 -19.31 60.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mp -102.44 -10.45 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 71.04 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 4.9 mt -47.75 -58.67 7.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 74.02 110.895 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.74 -7.88 22.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 74.2 112.334 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 m -116.55 20.9 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 mt -114.89 159.19 38.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 72.32 110.934 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.37 24.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 74.54 112.342 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 p -75.26 -5.08 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.867 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 -23.87 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.46 -24.61 9.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 72.04 110.806 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -51.48 -54.17 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -16.68 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.13 111.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.66 -60.6 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.91 -45.85 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.101 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.41 -21.25 59.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.872 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.57 -14.63 37.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 62.23 112.492 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.0 m -96.21 -44.31 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.324 . . . . 71.51 111.186 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.53 -18.59 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 64.33 110.943 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -40.57 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 74.35 110.891 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -16.28 57.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.931 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.09 -25.64 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.911 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -92.75 4.44 53.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.848 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -105.33 -24.41 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.935 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.32 -22.98 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.838 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.66 -11.62 15.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.914 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.05 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.35 111.076 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -84.44 -27.27 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 70.11 110.863 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 tp -70.07 -57.46 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.915 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.65 -45.13 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -56.63 -31.11 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -88.88 -14.27 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.871 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.1 tpt -72.79 -56.61 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -69.3 -11.74 61.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -98.12 -30.49 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.963 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.83 -49.47 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.2 111.079 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -95.62 28.24 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.979 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.93 153.38 27.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 75.35 110.879 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -78.76 83.71 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 54.41 110.899 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -132.92 -41.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.02 111.125 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t 60.04 64.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.118 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -132.18 174.35 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.116 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.853 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.22 -26.31 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -52.22 -29.95 25.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.24 -52.26 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 62.43 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -56.15 -40.29 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 70.44 110.85 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.63 -27.24 38.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 70.43 111.08 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -76.21 -28.81 57.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -86.53 -35.88 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 74.32 110.884 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.02 -40.15 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.899 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.2 ptp -62.69 -31.95 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.849 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.7 tp -79.02 -25.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.914 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.8 m -82.98 -20.68 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.177 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.05 -37.23 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 64.0 p -54.34 -51.96 63.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.41 110.862 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -54.15 -31.25 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.853 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -56.56 -32.15 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.16 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.0 -24.44 65.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.951 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -95.18 -43.12 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.067 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.21 -24.38 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 75.41 111.136 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -93.5 -18.93 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.95 -23.89 52.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 71.05 111.055 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.42 -58.68 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.921 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -56.37 -25.1 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.877 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -87.25 -35.26 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.93 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -29.7 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.927 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -96.29 -33.05 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.875 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.67 -33.16 45.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 62.01 111.078 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.47 -30.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 75.2 111.09 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.13 -32.93 74.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.863 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -90.07 -18.91 25.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.911 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.85 -56.19 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 71.11 111.108 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -51.67 -46.19 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.89 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.8 p -52.05 -32.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.1 mt -87.43 -25.37 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -79.74 -24.44 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 64.32 111.095 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.65 -43.46 98.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 63.02 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.13 -26.29 37.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.926 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -110.92 80.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.01 111.122 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.876 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.814 0.34 . . . . 72.43 111.068 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -140.74 135.18 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 74.13 110.912 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -120.74 81.02 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -133.36 151.1 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.826 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 mmm-85 -68.37 93.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.867 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 m -98.87 136.04 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 75.23 111.125 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -96.09 47.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.84 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -114.95 147.45 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.847 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.84 -18.44 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.24 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 p -61.95 -39.75 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 74.03 111.151 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -72.11 -17.2 62.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt -81.4 -19.05 43.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 74.41 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -98.85 -39.24 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.52 110.87 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -55.71 -30.51 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 71.41 111.11 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.3 tpp -66.28 -43.85 85.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.51 -23.84 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.32 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tt -82.41 -47.39 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.878 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.59 -37.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.35 111.102 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -74.6 -12.69 60.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.35 -29.15 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 44.21 111.105 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -87.7 -21.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.161 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -74.09 -28.0 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.935 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.93 -34.13 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.864 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.2 -12.58 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.896 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -61.64 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.877 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.18 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -93.53 16.68 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.886 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.02 -50.16 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.891 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -96.02 28.78 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.856 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.37 -36.66 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -132.99 154.78 81.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 75.51 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.77 168.71 20.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 72.42 112.314 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -158.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 74.44 112.372 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 69.2 49.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.33 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.26 -46.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 65.41 112.526 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -77.86 -4.14 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 73.51 110.913 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.3 -16.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 75.12 111.143 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.04 -42.59 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.03 111.13 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -62.65 -19.16 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 73.35 111.155 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.07 -46.58 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.087 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -43.97 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.4 t -81.45 -23.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.146 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -11.71 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 75.31 112.542 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -84.99 -12.93 52.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 75.05 110.951 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -47.07 16.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 75.24 111.113 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 pp -61.78 -47.93 82.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 54.11 110.904 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -68.19 -11.97 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.893 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.25 -25.83 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.889 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 pp -97.24 -17.94 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 73.5 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.3 mt -58.01 -32.09 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 63.41 111.168 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 54.12 112.47 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -25.99 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 71.44 110.863 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.7 t -98.23 -14.92 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.45 111.109 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -77.52 -24.49 49.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.77 -50.29 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 65.32 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.95 -2.07 58.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.912 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -49.53 -59.11 7.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 74.53 110.924 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 62.43 112.357 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -95.35 17.68 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.52 110.816 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 mp -107.69 160.79 25.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 75.34 110.897 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 178.13 4.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 74.21 112.347 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -86.51 71.31 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.85 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -175.1 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 61.21 110.85 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 m -86.64 -25.86 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 71.03 110.83 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -51.36 -43.57 61.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 64.4 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -63.01 -37.22 86.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.32 111.118 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -60.29 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.11 -48.32 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.57 -20.9 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.919 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.49 -16.04 23.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 72.2 112.475 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -96.06 -21.91 17.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.313 . . . . 74.13 111.132 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -86.82 -11.06 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.881 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -35.86 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.31 -17.19 55.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.891 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.2 -26.92 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.892 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -88.37 4.74 45.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.912 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -108.55 -19.38 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.893 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.06 -17.19 63.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.03 110.894 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.46 -19.44 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.0 -34.41 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 60.21 111.089 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -86.89 -32.22 20.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.866 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.76 -58.87 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 75.23 110.93 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.0 mt -52.46 -50.74 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 74.32 111.154 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.29 -24.0 62.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -81.0 -30.13 35.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 65.24 110.881 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 tpp -70.29 -46.66 63.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.874 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -70.47 -15.65 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.1 tp -98.24 -27.18 14.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.897 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.25 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.092 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.26 -13.94 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -52.47 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.897 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -51.3 -48.39 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 57.25 23.68 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.085 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -56.76 -23.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 71.02 111.107 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.8 t -93.23 40.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.161 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t 51.8 71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.879 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.18 33.19 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.979 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -98.6 -58.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.27 -41.97 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.13 110.927 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -62.61 -37.15 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.96 74.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.116 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -61.32 -64.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.901 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -56.45 -26.96 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -75.64 -29.24 59.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.7 ttm -63.49 -54.3 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.887 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.67 -23.77 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.6 m -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.35 111.172 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.8 -38.81 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 64.24 111.093 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 m -59.4 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -53.53 -30.44 41.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 71.43 110.881 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m -58.54 -41.64 86.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.161 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.32 -26.0 64.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.955 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -92.42 -42.67 9.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.123 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 88.6 t -55.82 -35.41 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 70.03 111.178 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -81.6 -12.78 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.848 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.85 15.33 13.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 71.05 111.088 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -126.16 -51.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.893 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -26.09 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.23 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.63 -37.44 36.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.939 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.7 tp -53.71 -37.5 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.911 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.78 -26.13 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.16 -46.88 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.106 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 30.0 m -64.87 -37.09 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.12 111.166 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -54.62 -51.39 65.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.873 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.56 -37.87 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 71.25 110.891 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.01 -45.19 87.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.119 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -62.37 -17.06 58.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.916 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.85 -41.02 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.14 111.108 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.48 -36.26 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.44 -26.97 33.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.53 111.113 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -74.51 -50.16 19.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.881 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 43.7 mt -53.22 -29.16 30.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.87 166.52 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.25 111.116 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.2 m80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.85 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.799 0.333 . . . . 63.33 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -105.65 114.73 29.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 mt -130.16 59.56 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 75.51 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -108.02 126.78 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.877 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -143.99 114.29 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.857 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -175.08 165.98 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 75.42 111.161 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.36 29.42 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.821 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.49 67.52 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.3 110.88 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -56.35 -31.41 63.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.939 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.1 m -66.46 -13.78 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.52 111.086 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -35.22 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -51.91 -29.7 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 73.11 110.927 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -86.67 -44.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.79 -30.82 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.106 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.9 ttp -71.06 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.891 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.65 -29.71 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.898 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.43 -45.85 61.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.933 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.29 -24.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.17 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -85.54 -49.66 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 64.01 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 p -87.74 -19.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.03 111.146 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -89.7 -28.07 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.71 -31.83 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.871 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 pp -71.47 -29.03 64.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.884 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -51.47 -51.87 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.908 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -73.98 -17.84 60.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.904 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.65 -7.48 59.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -53.65 36.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.949 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 t -97.56 41.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.835 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -129.93 -63.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 73.41 110.886 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.31 159.9 30.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 72.44 110.895 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.51 24.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.263 . . . . 74.33 112.369 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.81 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 74.23 112.342 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.81 -17.59 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 73.04 110.884 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.78 9.43 34.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.793 -0.718 . . . . 43.11 112.461 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.33 -25.34 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.365 . . . . 74.0 110.908 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.49 -30.78 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 73.54 111.143 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.9 -22.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 72.43 111.116 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 t -76.43 -35.81 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.093 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.3 t -64.61 -19.04 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.104 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -50.15 30.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.895 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -71.27 -11.21 60.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.928 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.1 t -96.11 -24.9 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 72.33 111.185 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -11.62 27.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 72.22 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 mt -82.73 -17.84 42.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 74.1 110.899 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -48.82 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.42 111.146 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.63 -47.54 84.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -68.62 -11.93 60.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.859 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -96.66 -21.71 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.903 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.18 -25.58 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.9 mt -55.73 -31.25 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.01 111.131 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.15 -10.51 73.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 62.42 112.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.05 -29.82 21.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 62.21 110.864 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.71 -23.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 72.55 111.144 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -72.99 -16.04 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.807 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -71.13 -15.97 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 73.54 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.79 -4.9 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.919 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -47.58 -58.95 6.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 74.14 110.882 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.75 -8.03 22.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 75.3 112.327 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.8 m -117.15 22.79 12.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.842 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.4 mt -115.69 159.35 39.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 73.34 110.959 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 176.25 7.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 75.43 112.366 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.7 m -76.47 -5.05 45.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.89 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.93 -19.09 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.41 110.878 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -112.13 -37.28 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 70.13 110.816 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -52.06 -46.68 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 71.25 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -12.92 60.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 72.45 111.188 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.71 -56.61 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.2 110.881 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.89 -50.56 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.22 111.166 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.2 -29.51 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.44 -33.63 7.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 63.31 112.476 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.7 m -70.23 -53.51 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 73.13 111.165 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.27 -25.87 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.891 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -46.53 80.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -16.34 60.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.921 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 tp -58.15 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 65.52 110.869 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -90.56 4.64 50.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -107.66 -25.48 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.912 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -63.76 -18.28 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.891 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.49 -16.85 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.909 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.28 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.23 111.048 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -86.13 -29.54 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.924 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 tp -68.66 -54.87 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.922 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.9 mt -61.07 -54.05 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.5 111.109 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.11 -47.17 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 75.04 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.65 -23.96 67.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -67.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.884 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.69 -28.42 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -81.94 -31.92 31.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.4 32.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.085 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.05 -29.66 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -55.81 110.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -80.69 87.44 5.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.23 110.869 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.47 154.85 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 65.41 111.091 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.39 -30.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 74.45 111.141 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -52.01 143.62 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 75.45 111.131 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.9 m -95.87 26.05 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 63.11 110.853 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 mt -105.22 19.49 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.12 110.931 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -30.61 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.34 -40.75 96.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 71.35 110.856 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.93 -33.27 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.896 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.13 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 75.23 111.131 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -70.07 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -37.06 62.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.893 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -71.47 -26.26 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.933 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.2 ttm -69.43 -56.74 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 70.13 110.868 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.23 -21.43 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.956 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 m -85.01 -21.64 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 74.15 111.103 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.07 -19.6 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.14 111.103 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -56.95 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.831 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -50.78 -31.26 16.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 72.3 110.834 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.96 -40.92 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.172 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.13 -27.19 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.938 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.1 -44.87 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 72.03 111.067 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 30.4 t -56.0 -24.55 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 75.32 111.138 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -90.11 -21.17 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.55 110.864 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.58 -23.63 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.097 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -68.72 -57.02 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.912 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.5 -27.21 36.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -79.16 -37.73 37.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 75.22 110.927 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.77 -28.76 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.918 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.74 -31.98 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.878 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.35 -54.3 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.096 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.96 -34.39 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.139 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -59.45 -40.85 88.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.91 -42.14 16.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.895 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.04 81.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 75.01 111.091 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -58.4 -21.63 51.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.7 t -86.52 -38.42 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.121 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.75 -33.19 64.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.896 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.19 -25.25 65.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 70.24 111.117 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -58.16 -46.65 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 70.22 110.87 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 pp -53.96 -28.58 38.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 54.14 110.876 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.59 168.37 9.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.14 111.101 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 51.3 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 51.43 110.89 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.822 0.344 . . . . 71.01 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -131.51 117.7 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.92 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -118.24 85.78 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.897 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.26 -179.47 5.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 65.11 110.856 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.56 86.99 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.871 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -143.93 -178.32 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 55.11 111.174 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -97.8 30.81 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.844 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.14 128.21 24.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.882 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -125.84 -34.77 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.937 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 m -65.84 -13.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.4 111.134 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -0.95 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.943 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.89 -52.17 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 72.03 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -67.63 -20.15 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -84.61 -27.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.45 111.107 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.6 tpp -78.03 -24.23 47.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.84 -23.83 55.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.865 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.09 -44.3 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -53.87 -26.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 73.21 111.139 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -56.86 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.89 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.33 111.124 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.17 -8.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.33 111.138 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.8 tp -92.44 -26.57 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 70.15 110.944 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.87 -29.92 62.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.926 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.52 -2.09 40.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.93 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -81.1 -64.78 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 72.33 110.898 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.73 -23.54 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.77 22.02 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 75.33 110.879 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.49 -26.77 26.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 70.31 110.961 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -113.03 50.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.857 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.81 -42.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.1 mt -104.58 159.61 28.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 72.22 110.895 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 168.44 21.57 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 73.12 112.376 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -10.47 28.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 71.21 112.37 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -76.21 -25.24 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.89 -18.07 56.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 73.22 112.444 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -83.39 -40.28 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 73.13 110.919 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.1 -37.96 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.105 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -72.46 -20.78 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 71.33 111.083 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.4 t -90.96 -33.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 73.21 111.124 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.93 -29.19 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.52 111.16 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -43.06 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.924 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.59 -28.78 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 71.23 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.6 t -82.78 -18.17 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 75.35 111.155 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -16.57 14.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 74.3 112.489 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.82 -3.62 58.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 75.33 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.59 -46.12 11.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.17 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.73 -47.39 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.935 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -67.79 -12.66 61.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.867 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -97.64 -30.4 12.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.918 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 pp -91.19 -19.48 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 55.44 110.93 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 mt -54.34 -31.27 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 73.34 111.089 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.02 -19.35 73.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 74.13 112.489 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.6 p -67.45 -43.61 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 74.33 110.886 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 t -84.0 -32.06 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.134 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -57.15 -32.15 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.49 -13.85 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.835 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -7.93 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.882 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -48.35 -58.37 8.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 74.24 110.899 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -6.98 19.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 73.04 112.31 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -104.5 25.82 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.858 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.91 164.09 17.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 75.34 110.931 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.08 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 74.2 112.381 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m 72.09 8.19 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 61.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.4 t -110.51 -35.86 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.859 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -105.98 20.17 19.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 74.44 110.859 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -71.1 -41.93 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.872 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -54.86 -23.31 17.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 111.109 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -58.5 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.887 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.2 mt -65.36 -51.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 65.1 111.115 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -29.58 18.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.04 -32.58 8.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 60.34 112.519 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 97.6 m -65.46 -51.71 58.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 62.32 111.134 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.83 -18.95 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -45.72 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 pp -75.39 -18.79 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.96 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.46 -23.49 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.889 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -93.23 5.05 52.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.834 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -106.67 -23.59 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.895 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -65.26 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.937 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -100.66 -14.97 17.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.905 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.45 -60.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.2 111.081 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -68.17 -19.89 64.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -78.44 -32.87 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.894 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.98 -28.2 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.133 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.43 -52.25 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.905 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -66.03 -22.36 66.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.937 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 tpt -64.94 -51.2 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.864 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -76.23 -14.05 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 71.02 110.854 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.98 -7.71 29.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.927 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.42 -5.55 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 55.24 111.095 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -120.48 -8.56 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.35 110.89 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.86 161.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 71.43 110.922 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -100.39 78.09 2.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.9 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.89 133.99 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -55.88 -25.19 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.35 111.114 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -51.67 141.48 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.159 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -96.84 26.17 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.53 110.899 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.11 20.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -27.02 52.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 73.0 110.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.57 -25.83 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.856 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.35 -43.88 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.897 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.37 -24.96 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.32 111.1 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -64.08 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -52.36 -43.22 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.35 110.881 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.942 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 25.9 ttm -65.32 -46.17 81.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.857 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.38 -31.57 71.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 73.41 110.939 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.0 m -62.23 -20.97 64.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 63.03 111.181 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -96.42 -24.71 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 62.4 111.127 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 70.7 p -65.58 -49.2 69.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.914 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -58.81 -20.74 52.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.03 110.848 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.3 m -66.9 -28.63 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.153 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.2 mp -72.03 -24.52 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.887 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.23 -43.67 7.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 75.13 111.091 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.03 -26.84 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 72.13 111.14 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.88 -10.63 38.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.905 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.5 -8.38 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.118 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -49.81 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.965 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -52.49 -34.4 49.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 71.41 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -42.1 85.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.955 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.76 -42.88 62.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -79.54 -33.66 41.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.865 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.82 -58.13 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 75.25 111.102 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.1 p -66.83 -25.27 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 65.34 111.12 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.98 -48.46 78.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.844 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.65 -36.77 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.893 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.05 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 70.11 111.115 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -61.83 -33.41 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.91 -36.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.5 mt -67.9 -23.48 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 74.24 110.909 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.37 -60.17 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.106 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -56.64 -46.51 80.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.874 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.0 mt -52.91 -29.33 27.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 71.15 110.943 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.19 158.13 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.077 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.9 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 74.5 110.852 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.831 0.348 . . . . 74.23 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -52.17 156.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 63.54 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.8 25.98 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -84.44 111.46 19.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 72.14 110.84 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -152.58 144.9 23.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.898 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -111.62 165.3 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 70.2 111.152 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 56.08 25.27 8.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.831 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -93.36 77.42 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -83.26 -35.82 25.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 65.12 110.926 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.7 p -69.74 -29.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.126 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -20.92 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.928 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 mt -86.72 -20.82 27.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.83 -18.78 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 71.34 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -85.99 -27.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 73.04 111.127 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -73.05 -20.41 60.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.837 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.83 -18.01 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 74.25 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.8 tp -87.42 -48.54 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 75.05 110.881 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.71 -20.89 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.1 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -88.16 -16.66 32.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.839 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.12 -18.46 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 62.12 111.113 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.0 p -92.96 -21.32 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.109 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.35 -27.91 19.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.904 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.25 -23.87 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 65.13 110.895 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 pp -79.15 -30.38 43.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 74.04 110.913 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -50.92 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 70.54 110.909 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.73 -24.05 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.924 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.75 -8.81 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.885 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.95 -43.9 73.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 75.44 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 p -105.4 35.09 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.887 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -131.91 -39.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.7 158.4 68.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 74.42 110.885 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.84 17.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 75.34 112.372 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -31.42 20.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 75.42 112.418 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -49.83 -34.42 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.2 -30.31 34.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 75.51 112.52 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.79 -38.16 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 73.42 110.895 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.07 -25.03 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.123 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.5 t -91.57 -16.04 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.23 111.096 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.18 -35.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.14 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.48 -19.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.154 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -51.68 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 75.1 110.901 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -72.01 -18.42 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.917 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.9 t -94.56 -19.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 72.2 111.09 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.42 -13.86 21.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 52.03 112.502 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 mt -85.29 -21.85 28.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 63.24 110.907 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -49.46 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.13 111.088 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 pp -58.53 -47.58 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.915 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -70.87 -9.21 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.886 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -97.29 -25.95 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 pp -93.89 -24.52 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.938 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.8 mt -55.25 -30.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.123 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.39 -15.89 75.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 72.5 112.531 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 m -86.38 -22.28 26.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.389 . . . . 73.43 110.872 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.82 -47.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 72.2 111.132 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -56.85 -33.71 67.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 72.13 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -15.21 60.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.863 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.44 10.53 40.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.907 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.33 -58.47 8.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 75.33 110.927 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.74 -6.77 19.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 75.03 112.356 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -90.64 -6.1 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 65.14 110.877 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -129.08 159.64 67.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 74.54 110.906 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.77 157.58 59.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.03 112.325 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -53.17 -34.34 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 71.23 110.833 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -51.57 -29.33 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.847 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.87 -19.69 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.903 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -63.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 74.42 110.919 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -29.63 15.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 72.22 111.135 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.34 -57.62 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.38 -57.0 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.133 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -54.19 -25.51 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 71.25 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.95 -12.55 55.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.721 . . . . 72.23 112.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 83.8 m -96.21 -49.6 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.719 0.295 . . . . 73.31 111.158 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -59.32 -27.53 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.913 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -42.87 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.04 -16.94 59.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.954 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.8 -34.24 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.03 110.962 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -85.89 4.8 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.01 110.908 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -106.92 -20.45 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.919 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.877 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.61 -16.64 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.945 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.35 -27.63 67.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.14 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.79 -30.22 13.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.876 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.9 -35.0 77.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.864 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.3 mt -83.16 -34.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.091 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.32 -21.27 58.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.854 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -86.45 -37.26 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 72.02 110.915 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.6 ptm -67.44 -29.72 69.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.83 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -85.66 -18.27 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 73.2 110.875 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 tp -98.06 -19.3 18.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 73.15 110.934 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.63 -47.96 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.12 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -55.31 -26.09 38.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 73.23 110.937 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.6 133.95 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.28 75.33 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.877 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 144.95 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 75.35 111.1 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.57 43.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -153.58 168.41 26.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.138 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -91.49 47.16 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.833 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.4 tp -105.73 -25.81 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 74.13 110.957 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.7 t -52.46 -33.29 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -52.3 -41.13 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.856 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.15 -34.36 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.936 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.52 -3.96 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 61.42 111.086 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -40.24 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.837 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -22.44 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 75.4 110.919 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.21 -25.26 62.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.941 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.0 ptm -77.06 -32.04 56.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.04 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tt -79.02 -22.93 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.923 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.5 m -74.53 -21.27 59.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.177 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.19 -34.11 26.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.02 111.106 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 94.2 p -56.34 -55.16 36.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.854 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.13 -28.31 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.836 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.4 m -57.05 -24.32 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 71.24 111.124 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 mp -79.43 -21.9 44.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.93 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.04 -42.61 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.1 111.07 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.91 -29.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 73.3 111.149 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -82.36 -31.81 29.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.33 69.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.077 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -76.04 -45.68 33.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -63.66 -28.41 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.911 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -42.39 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.882 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.59 -30.41 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.03 110.96 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -29.96 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 64.04 110.879 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.4 -54.49 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.23 111.066 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.1 p -66.47 -29.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.107 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.85 -55.57 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.896 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.25 -33.18 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.85 87.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.02 111.121 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -66.88 -21.24 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.877 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.3 t -86.96 -38.34 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.1 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.82 -22.49 42.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.56 -30.21 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.1 111.086 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -55.08 -46.82 75.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.873 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pp -56.76 -28.11 60.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.95 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.9 131.53 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.12 111.114 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.881 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.798 0.332 . . . . 73.44 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 62.27 48.85 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.9 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.91 32.23 4.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.03 110.967 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.96 73.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.866 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -87.43 82.94 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 65.43 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.96 97.89 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 63.31 111.161 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -100.88 52.22 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.865 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.23 124.49 26.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.816 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -59.66 -21.45 60.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -58.76 -41.92 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 75.54 111.161 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -18.03 57.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.877 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.15 -18.58 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.889 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -100.19 -46.12 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.14 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 m -51.48 -29.73 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 64.3 111.143 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -66.02 -47.05 75.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -52.21 -29.49 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.888 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 tt -81.06 -51.18 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.87 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.71 -23.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.31 111.152 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -82.9 -55.56 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.35 -40.4 59.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.09 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 p -74.64 -27.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.55 111.109 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -31.81 73.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.04 110.934 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.9 -45.36 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.931 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.74 -9.53 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -84.63 -24.22 29.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -111.33 -28.76 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.901 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -87.92 0.48 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -38.56 55.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.898 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -100.23 42.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.836 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -130.62 -61.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.25 159.96 31.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 74.41 110.882 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.08 22.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 73.43 112.327 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.22 31.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 75.32 112.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.32 -26.53 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 74.05 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.07 -1.37 54.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 41.31 112.481 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -98.57 -24.81 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 75.31 110.908 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.33 -26.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 73.12 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 p -93.04 -22.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 71.35 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.8 t -74.08 -39.21 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.135 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.55 -24.51 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 64.32 111.09 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -54.22 35.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.885 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -70.09 -17.28 63.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 72.51 110.91 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.5 -29.03 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.1 111.176 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.46 31.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 71.31 112.453 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -84.84 -19.56 32.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 71.54 110.925 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 m -69.31 -51.85 33.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.112 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.936 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -65.17 -13.94 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.875 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -92.28 -30.58 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.46 -25.85 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 71.14 110.945 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.6 mt -55.79 -30.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.093 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.03 -8.56 64.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 45.25 112.473 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.7 p -91.35 -33.16 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 73.33 110.894 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.8 t -92.5 -29.13 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 72.13 111.086 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -55.69 -30.7 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 61.53 110.846 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -79.01 -25.52 43.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.02 -14.05 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt -50.71 -60.39 5.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 75.35 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.74 -9.45 26.15 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.269 . . . . 74.05 112.326 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t -98.47 2.27 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 62.34 110.862 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mp -98.78 160.22 28.41 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 75.34 110.921 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -170.62 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 72.2 112.361 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.1 p -97.7 53.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.829 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.8 t -152.86 -46.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -102.03 21.88 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 63.03 110.881 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -86.78 -43.25 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.847 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -62.52 -30.3 71.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.126 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.56 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.855 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.6 mt -62.12 -53.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.14 111.192 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.81 -27.76 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 65.4 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.48 -9.15 55.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 75.22 112.448 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 120' ' ' LEU . 44.9 m -96.07 -52.18 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 64.13 111.129 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -57.86 -23.1 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -40.89 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.922 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -15.75 57.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.935 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.4 -21.79 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.925 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -97.24 4.42 50.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.57 -23.37 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.894 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.65 -20.3 65.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 60.21 110.885 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.38 -14.44 14.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.904 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.36 -33.38 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 60.3 111.124 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -88.72 -29.18 20.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.877 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.95 -57.95 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.884 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.3 mt -52.86 -36.77 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 72.51 111.166 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.37 -40.67 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.901 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -78.7 -16.84 56.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.88 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.23 -51.3 25.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.07 -13.44 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.892 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 tp -98.04 -20.51 17.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 73.31 110.937 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.94 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.082 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.05 28.71 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 71.44 110.876 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 156.63 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -79.26 75.25 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.908 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.61 156.62 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.081 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 p -104.21 -26.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.126 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.1 t -58.41 163.24 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.14 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.6 m -97.87 27.61 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.4 110.867 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 tt -80.63 -24.98 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.934 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 m -52.14 -30.06 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -51.97 -45.0 64.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -59.87 -45.5 92.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.864 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.83 -26.66 68.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.117 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -62.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -60.07 -41.52 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.887 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -63.22 -25.08 68.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 71.32 110.899 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.5 ttp -68.62 -59.15 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.858 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.2 -24.18 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.02 110.876 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -68.72 -19.83 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.52 111.114 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.66 -31.28 13.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 64.52 111.128 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.9 p -60.16 -51.27 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.857 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -55.31 -25.98 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.925 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.83 -20.22 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.33 111.134 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -81.09 -24.68 37.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 74.35 110.939 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.08 -39.64 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.43 111.095 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.86 -29.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 71.54 111.163 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.03 -44.41 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.898 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.14 -22.86 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 70.41 111.094 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -73.37 -65.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.867 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -64.18 -22.37 66.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 60.34 110.896 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 72' ' ' THR . 12.9 tp -72.28 -33.02 67.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 75.14 110.969 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.64 -26.48 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 73.34 110.93 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.06 -50.07 13.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.91 -31.0 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.21 111.104 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 91.3 t -86.68 -37.77 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 75.54 111.114 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -53.69 -51.03 64.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.837 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -71.59 -34.48 69.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.896 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.077 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -25.1 59.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.7 t -82.59 -35.17 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 61.54 111.128 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.05 -34.16 63.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.92 -53.53 56.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 60.4 111.091 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -56.52 -41.43 76.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.902 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.32 -27.44 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.95 95.08 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.1 111.086 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.9 m170 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.867 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 t0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 65.21 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.3 pt? -102.29 17.61 23.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 70.03 110.906 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.692 HG11 HG21 ' A' ' 124' ' ' VAL . 92.8 t -93.15 -33.72 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.04 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -88.48 0.51 56.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.912 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -85.1 -57.2 3.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 64.24 110.909 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.82 -49.49 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.5 110.876 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 6.4 p -52.23 -28.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.41 111.106 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -62.45 -38.17 88.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.6 -31.16 71.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' HB ' ' A' ' 46' ' ' THR . 8.6 tt -71.39 -50.08 35.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.543 HG13 ' HB1' ' A' ' 114' ' ' ALA . 26.5 t -54.36 -26.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 -48.86 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -24.02 67.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.097 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.574 ' HB ' HG13 ' A' ' 43' ' ' VAL . 9.6 p -91.46 -18.73 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.137 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 tp -81.74 -26.34 34.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.942 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -73.07 -33.02 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.878 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.3 pp -79.89 -2.39 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 54.35 110.924 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -89.68 -19.79 24.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -107.68 -25.46 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 61.14 110.845 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -80.52 -6.21 57.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.2 110.888 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.558 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.83 -41.36 61.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.12 110.89 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -97.42 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 62.12 110.83 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -137.54 -72.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 72.45 110.924 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.95 159.36 31.65 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 74.4 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.11 22.47 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 65.42 112.365 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -17.32 37.94 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.696 2.264 . . . . 71.5 112.375 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.575 ' O ' HG12 ' A' ' 37' ' ' VAL . 36.3 tp10 -62.74 -31.9 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.23 110.893 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.37 -21.08 42.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 72.53 112.491 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.93 -27.74 60.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.952 0.406 . . . . 71.35 110.912 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 34' ' ' GLU . 10.5 p -53.64 -28.89 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.42 111.109 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -87.81 -24.32 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.01 111.097 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.5 t -72.78 -42.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.144 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG11 HG12 ' A' ' 84' ' ' ILE . 40.7 t -54.86 -25.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.164 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.65 -55.31 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.904 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -70.16 -11.63 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 64.53 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 39' ' ' VAL . 85.3 t -96.07 -24.29 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.25 111.109 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.05 -10.51 29.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 75.24 112.516 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD23 ' HD3' ' A' ' 48' ' ' ARG . 11.9 mt -91.32 -4.03 56.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 60.42 110.921 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.686 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.34 -25.12 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.165 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.648 ' HA ' HD23 ' A' ' 50' ' ' LEU . 3.1 pp -87.2 -42.85 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.748 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.2 ptm180 -64.42 -16.2 61.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.15 110.912 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -33.1 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.03 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.648 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -80.72 -26.21 37.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.906 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' A' ' 76' ' ' LEU . 19.1 mt -59.92 -30.32 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.116 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.91 -2.21 76.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 72.41 112.481 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -31.36 16.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 70.24 110.845 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG12 HG21 ' A' ' 69' ' ' ILE . 11.6 t -87.31 -25.4 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.161 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.98 -28.11 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.835 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.5 -27.21 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.861 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.16 -12.86 42.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.953 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 61' ' ' LEU . 1.5 mt -51.37 -58.86 9.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 74.03 110.945 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.8 -6.22 18.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 72.42 112.344 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -104.74 21.06 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.848 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -129.55 160.35 64.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 62.23 110.923 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 75.45 112.316 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -107.77 53.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.91 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -144.94 -42.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -87.64 -19.03 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 54.31 110.863 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.544 ' N ' HD11 ' A' ' 61' ' ' LEU . 7.2 tmm_? -53.21 -38.29 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 54.23 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -20.49 33.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.141 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 123' ' ' ALA . 1.3 tm-20 -85.81 -48.62 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.404 HG21 HG12 ' A' ' 54' ' ' VAL . 8.6 mt -69.58 -56.76 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 45.45 111.157 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -15.53 58.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.901 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.445 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -99.26 -20.87 16.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 63.04 112.521 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.691 HG21 ' HB2' ' A' ' 120' ' ' LEU . 55.1 m -96.0 -42.59 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 74.24 111.128 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.99 -16.54 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 61.43 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -37.75 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -83.06 -16.7 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.959 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.497 ' HB3' HD11 ' A' ' 51' ' ' ILE . 3.2 tp -59.51 -22.98 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.4 110.913 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -95.31 4.48 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 61.14 110.933 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -107.27 -23.27 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -66.62 -20.21 65.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.789 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.7 -15.47 14.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 55.13 110.879 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.553 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -61.05 -33.66 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 71.21 111.136 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -89.47 -26.06 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.7 tp -72.03 -49.86 33.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 62.01 110.935 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.516 HG12 HG11 ' A' ' 40' ' ' VAL . 17.3 mt -65.85 -47.79 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 23.23 111.123 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.61 -25.48 53.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.898 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.43 -22.77 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.914 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.7 tpp -71.07 -55.1 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 70.3 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.16 -15.0 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.9 tp -98.09 -25.54 14.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.923 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.6 -52.04 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 75.2 111.106 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.65 -18.93 65.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 94' ' ' ALA . 1.3 tm0? -52.72 155.27 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.915 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -73.99 75.86 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.869 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' HB2' ' NE2' ' A' ' 92' ' ' GLN . . . -109.02 129.11 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 30.44 111.116 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.4 t -105.42 75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.119 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.5 t -156.82 156.56 33.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 71.21 111.192 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.38 -31.27 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.05 110.832 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.39 -25.49 49.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 62.44 110.922 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.6 t -53.93 -28.18 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 40.21 110.852 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -81.83 -40.83 21.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 65.03 110.851 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -68.95 -27.73 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.906 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 -4.46 44.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 65.35 111.101 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.83 -33.09 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 63.41 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -86.48 -24.23 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.878 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -73.2 -46.49 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 83' ' ' LEU . 4.0 ptp -51.91 -39.42 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.897 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.45 -35.22 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 62.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -21.18 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.105 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.17 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 74.33 111.102 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.708 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -58.85 -56.71 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 52.33 110.854 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 115' ' ' VAL . 9.6 t60 -52.01 -30.61 26.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.863 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.613 HG22 ' OD2' ' A' ' 116' ' ' ASP . 1.6 m -53.51 -41.0 65.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.789 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -59.8 -25.78 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.945 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -92.3 -45.12 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.42 111.091 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 111' ' ' HIS . 22.9 t -57.16 -34.12 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 61.23 111.123 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.613 ' OD2' HG22 ' A' ' 112' ' ' THR . 43.4 m-20 -85.94 -4.73 59.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.929 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -96.62 -34.89 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.106 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.739 ' HA ' HD23 ' A' ' 121' ' ' LEU . 2.1 mptp? -58.15 -34.48 70.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 2.9 m-20 -82.42 -18.27 42.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.871 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.691 ' HB2' HG21 ' A' ' 72' ' ' THR . 2.8 tm? -83.28 -34.69 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.929 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.739 HD23 ' HA ' ' A' ' 118' ' ' LYS . 1.2 pp -65.36 -30.06 70.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.917 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -95.6 -26.05 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.886 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 68' ' ' GLU . . . -59.31 -52.87 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.098 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.692 HG21 HG11 ' A' ' 10' ' ' VAL . 19.0 t -65.16 -32.78 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.106 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 129' ' ' VAL . 3.4 m-20 -56.2 -25.64 47.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 65.25 110.851 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.703 ' O ' HD23 ' A' ' 130' ' ' LEU . 9.7 mt-30 -92.42 -21.55 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.886 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.43 -37.6 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.32 111.086 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.8 -45.23 71.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 125' ' ' ASP . 88.4 t -63.74 -32.08 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.21 111.093 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 126' ' ' GLN . 2.7 mm? -70.69 -27.03 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 53.23 111.089 179.784 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.815 0.341 . . . . 54.34 110.82 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.34 -29.65 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.936 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 54' ' ' VAL . 93.4 t -56.43 -25.85 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.112 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.15 -21.82 18.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.908 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 11' ' ' TYR . 1.9 mm? -71.93 -20.09 61.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.932 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -98.84 -46.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.876 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.728 HG22 ' HB1' ' A' ' 117' ' ' ALA . 5.7 p -53.11 -27.72 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.107 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -45.16 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.09 -22.93 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.873 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' VAL . 16.1 tp -79.35 -56.31 4.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.729 HG13 ' HB1' ' A' ' 114' ' ' ALA . 21.2 t -65.49 -21.57 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.103 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -88.59 -21.28 24.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.43 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 65.2 111.114 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.721 HG11 ' HB2' ' A' ' 114' ' ' ALA . 10.5 p -93.21 -14.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 71.21 111.119 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.4 tp -85.29 -25.96 26.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.44 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.42 -27.35 60.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.682 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.7 pp -86.58 -1.71 57.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 43.32 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 107' ' ' LEU . 9.0 mtpm? -90.8 -11.85 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.86 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -111.88 -24.17 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.87 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.45 12.96 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 61.24 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -67.22 -38.3 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 61.12 110.927 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -105.53 39.57 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.98 11.25 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.797 HD11 ' CE1' ' A' ' 36' ' ' TYR . 2.2 pp -179.66 156.33 0.79 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.706 . . . . 72.54 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.4 21.75 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.258 . . . . 74.21 112.32 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -8.0 22.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 64.32 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.68 -22.68 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 52.13 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.39 3.04 57.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 54.21 112.496 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.797 ' CE1' HD11 ' A' ' 31' ' ' LEU . 1.5 m-85 -108.6 -26.35 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 73.5 110.921 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.24 -26.74 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 73.5 111.167 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 t -93.15 -20.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 70.25 111.128 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 43' ' ' VAL . 63.5 t -75.07 -37.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG11 HG12 ' A' ' 84' ' ' ILE . 21.9 t -56.82 -23.85 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 65.3 111.117 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.21 -54.06 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 44.34 110.851 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.82 -23.31 61.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 64.52 110.903 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 39' ' ' VAL . 87.0 t -81.17 -24.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.078 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.32 -13.49 24.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.34 112.52 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.8 HD23 ' HD3' ' A' ' 48' ' ' ARG . 7.6 mt -83.37 -10.84 58.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 71.33 110.873 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -52.39 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.51 111.163 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 pp -56.83 -49.17 76.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.943 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.8 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.5 ptm180 -64.98 -14.41 60.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.88 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -91.17 -28.28 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.851 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD11 HE22 ' A' ' 73' ' ' GLN . 1.2 pp -91.94 -31.78 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.91 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.592 HD11 HD23 ' A' ' 76' ' ' LEU . 18.7 mt -57.02 -26.55 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.129 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.54 -1.82 78.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 70.33 112.528 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.4 -33.73 8.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 71.13 110.838 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.679 HG12 HG21 ' A' ' 69' ' ' ILE . 10.5 t -88.43 -29.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 73.33 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.71 -38.1 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -27.05 63.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.866 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.7 mt -98.13 16.58 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 55.21 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.2 mt -51.61 -58.98 8.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 64.33 110.953 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 74.32 112.373 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 t -84.0 -6.48 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.02 110.857 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' CB ' ' HB1' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -126.84 159.99 61.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 73.33 110.881 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.9 Cg_endo -69.74 159.36 53.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.262 . . . . 65.25 112.342 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -57.78 -23.32 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.834 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 t -50.8 -38.49 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.841 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.651 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 49.7 m -112.24 -27.67 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 71.43 110.87 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 69' ' ' ILE . 15.6 ttt180 -51.06 -57.6 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -57.68 -21.7 41.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 111.125 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -84.03 -35.88 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.14 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.679 HG21 HG12 ' A' ' 54' ' ' VAL . 6.8 mt -70.93 -48.95 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.143 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -56.47 -29.62 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.849 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.11 -37.77 6.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 55.41 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.719 HG21 HD23 ' A' ' 120' ' ' LEU . 65.2 m -70.16 -52.32 24.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.731 0.301 . . . . 73.53 111.176 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.474 HE22 HD11 ' A' ' 50' ' ' LEU . 3.7 mm100 -63.23 -22.51 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.68 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 52.12 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.56 -15.49 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.592 HD23 HD11 ' A' ' 51' ' ' ILE . 1.9 tp -59.0 -25.45 63.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.53 4.85 53.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -111.19 -21.59 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.942 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.0 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.872 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.795 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.89 -20.36 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -58.03 -29.91 65.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.22 111.106 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -90.91 -31.82 16.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.871 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.5 tp -65.75 -51.42 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.925 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.484 HG12 HG11 ' A' ' 40' ' ' VAL . 33.5 mt -60.13 -40.77 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 43.42 111.149 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.16 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.925 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -75.83 -19.78 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.913 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 26.5 tpp -75.39 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.886 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -21.78 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp -94.64 -28.5 15.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 63.52 110.95 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -53.48 -42.84 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 52.22 111.086 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -108.5 28.78 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.58 167.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.922 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.96 -35.16 66.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.56 109.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 55.14 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.3 56.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 71.25 111.102 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.718 HG23 ' H ' ' A' ' 98' ' ' LEU . 14.7 t -93.43 172.83 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.107 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -96.75 29.0 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.876 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.718 ' H ' HG23 ' A' ' 96' ' ' THR . 1.9 tt -115.7 -23.76 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 55.33 110.946 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.1 -40.2 60.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.21 -40.86 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 62.13 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.53 -34.57 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 64.22 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.85 -24.98 64.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 72.54 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.414 ' HG3' HD11 ' A' ' 28' ' ' LEU . 10.9 tptt -57.2 -61.87 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.859 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -65.17 -28.68 69.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.41 -28.14 63.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.5 ttp -67.23 -55.11 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.4 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.9 tt -57.11 -24.58 55.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.889 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -68.0 -22.6 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 60.44 111.103 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -90.83 -36.65 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 61.14 111.077 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.682 ' CB ' HD11 ' A' ' 24' ' ' LEU . 98.1 p -56.48 -53.87 52.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 73.11 110.846 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -56.1 -25.05 44.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.1 m -62.54 -17.81 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 62.51 111.137 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.5 mp -83.27 -25.86 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 64.44 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.729 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.29 -36.41 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.23 111.105 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.56 -29.24 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.45 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -85.87 -32.91 21.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 60.24 110.889 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -58.15 -28.15 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.086 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.86 -48.14 26.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.77 -24.44 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 64.01 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.719 HD23 HG21 ' A' ' 72' ' ' THR . 2.8 tm? -84.24 -44.19 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 121' ' ' LEU . 13.3 tp -54.02 -26.97 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.939 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -88.18 -26.5 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.51 110.877 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.64 -50.04 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 120' ' ' LEU . 15.5 m -69.34 -31.61 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 63.14 111.109 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 129' ' ' VAL . 20.4 t70 -56.5 -43.88 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.871 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -75.08 -27.7 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.31 110.924 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 65' ' ' SER . . . -74.17 -38.81 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 71.43 111.066 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -64.38 -24.87 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 125' ' ' ASP . 83.3 t -82.6 -39.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.54 111.128 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.8 mt -78.62 -24.96 45.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 60.04 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.08 179.792 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.876 0.369 . . . . 74.52 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.0 pp -134.26 6.83 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.926 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.963 HG21 HG21 ' A' ' 124' ' ' VAL . 5.9 m -93.32 -16.79 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 50.3 111.127 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.501 ' HB2' HD12 ' A' ' 121' ' ' LEU . 8.3 p90 -95.01 -15.7 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.957 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -79.48 -25.02 41.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 75.55 110.951 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -91.66 -43.61 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.904 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.814 HG22 ' HB1' ' A' ' 117' ' ' ALA . 8.4 p -54.66 -28.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.42 111.139 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.3 tpp -72.26 -42.97 65.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.872 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 62.04 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 47' ' ' LEU . 4.4 tt -64.78 -54.38 32.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 114' ' ' ALA . 47.1 t -49.53 -51.31 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 52.03 111.131 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -66.32 -24.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.55 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.22 -29.15 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 45.53 111.084 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 110' ' ' SER . 7.2 p -93.24 -18.2 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 50.04 111.123 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -20.01 58.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 60.12 110.887 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.23 -25.68 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.929 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.1 pp -93.06 -1.04 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.881 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 107' ' ' LEU . 8.4 mtpm? -91.18 -49.52 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 65.05 110.842 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -75.84 -25.46 56.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 65.41 110.882 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -86.97 0.35 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 62.04 110.927 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 63.12 110.947 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -98.89 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.869 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -138.72 -74.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.52 159.19 64.7 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.644 0.735 . . . . 61.3 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.53 21.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 72.23 112.339 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.59 23.98 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 71.21 112.373 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -89.83 -11.59 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 62.32 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.28 -10.57 54.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 33.11 112.502 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.97 -33.62 22.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 73.13 110.892 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 p -50.7 -39.37 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 71.04 111.12 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.61 -33.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 43' ' ' VAL . 37.1 t -70.07 -35.13 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 64.41 111.125 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.576 HG11 HG12 ' A' ' 84' ' ' ILE . 66.3 t -54.08 -25.06 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 63.41 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -57.94 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 70.14 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -71.51 -10.43 59.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 62.02 110.892 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 HD22 ' A' ' 113' ' ' LEU . 89.2 t -96.02 -23.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.21 111.126 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.83 -21.27 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 61.12 112.455 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.817 HD23 ' HD2' ' A' ' 48' ' ' ARG . 19.3 mt -82.01 -1.45 48.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 73.14 110.896 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.498 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -85.69 -49.21 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 61.32 111.135 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.745 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 pp -62.5 -50.53 71.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.903 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.817 ' HD2' HD23 ' A' ' 45' ' ' LEU . 7.1 ptp85 -64.81 -14.62 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.846 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -91.28 -26.65 18.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.897 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -93.59 -29.24 15.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.889 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 48' ' ' ARG . 19.2 mt -56.22 -28.8 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.116 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.27 -8.13 83.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 61.42 112.512 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.504 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -99.38 -27.18 13.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 72.31 110.849 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.585 HG12 HG21 ' A' ' 69' ' ' ILE . 3.1 t -92.62 -24.46 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.4 111.16 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -73.95 -35.77 64.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.878 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -76.18 -7.29 54.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.856 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.5 6.67 17.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.945 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.539 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -54.13 -57.79 16.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 34.42 110.936 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.76 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 54.41 112.362 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -92.53 -2.46 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 63.3 110.836 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.618 HD13 ' OG ' ' A' ' 65' ' ' SER . 0.4 OUTLIER -127.27 160.23 61.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 73.44 110.885 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 172.0 13.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 71.34 112.297 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.34 -31.07 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.856 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.2 t -51.55 -30.6 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 73.52 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.618 ' OG ' HD13 ' A' ' 61' ' ' LEU . 10.4 p -111.62 -29.93 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.898 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.5 ttp85 -51.34 -53.25 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.904 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -59.29 -28.6 66.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 53.42 111.158 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -73.75 -60.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 53.23 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.585 HG21 HG12 ' A' ' 54' ' ' VAL . 3.4 mt -50.9 -54.36 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.02 111.128 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -21.56 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.886 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.49 -15.66 46.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.51 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 ' HG ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -96.54 -44.12 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 73.15 111.157 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.673 ' OE1' HD11 ' A' ' 120' ' ' LEU . 4.6 mm100 -64.76 -15.05 61.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 53.5 110.954 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -41.33 12.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 76' ' ' LEU . 4.4 pp -79.26 -19.54 50.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.939 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 75' ' ' LEU . 2.5 tp -58.75 -28.55 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.05 110.883 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -90.05 4.38 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.882 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -108.7 -19.6 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.26 -17.64 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 60.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.779 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.21 -18.9 13.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 43.42 110.964 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.508 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.89 -35.85 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 65.51 111.105 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -86.38 -32.28 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.747 HD22 ' HA ' ' A' ' 110' ' ' SER . 10.4 tp -64.21 -52.44 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.576 HG12 HG11 ' A' ' 40' ' ' VAL . 18.1 mt -62.21 -51.5 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 31.31 111.162 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.42 -27.29 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.926 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -88.45 -21.6 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.876 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 28.1 mmm -68.96 -66.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 70.44 110.917 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -23.49 30.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.9 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.6 tp -87.91 -24.4 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 63.41 110.893 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.21 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 55.32 111.111 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -18.75 65.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 50.32 110.875 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -51.69 143.02 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.946 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -75.39 72.89 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.0 139.36 30.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 64.14 111.097 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.75 45.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 62.25 111.108 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 98' ' ' LEU . 11.0 t -126.3 25.19 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.51 111.161 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 58.09 43.86 20.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.849 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 96' ' ' THR . 23.3 mt -125.59 25.78 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 61.31 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.8 t -88.95 -31.34 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -84.77 -33.82 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 70.23 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.75 -42.04 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 64.11 110.886 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.28 -26.09 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 70.44 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.409 ' HG3' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.36 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.34 110.916 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -57.74 -39.1 76.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.891 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -67.39 -25.26 65.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.916 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.7 ttm -68.29 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.879 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.1 tt -59.94 -27.36 66.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 52.42 110.92 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.4 m -67.17 -24.64 65.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 70.04 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.21 -40.55 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 63.05 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.747 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.2 m -57.9 -53.46 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.864 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.55 -27.04 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.489 ' HA ' HG12 ' A' ' 115' ' ' VAL . 3.1 m -58.25 -29.44 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.25 111.104 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.805 HD22 HG12 ' A' ' 43' ' ' VAL . 6.1 mp -71.74 -23.9 61.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.938 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -94.41 -44.39 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 63.21 111.096 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 112' ' ' THR . 4.2 p -57.84 -26.67 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.123 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CG ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -91.07 -9.19 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.876 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.814 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -90.26 -18.63 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 74.25 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -76.22 -59.43 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.934 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -51.72 -29.69 19.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.673 HD11 ' OE1' ' A' ' 73' ' ' GLN . 1.2 tt -71.22 -41.61 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.92 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 11' ' ' TYR . 2.4 tp -52.82 -30.86 35.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.933 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.23 -27.43 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.86 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.38 -57.28 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.51 111.074 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.963 HG21 HG21 ' A' ' 10' ' ' VAL . 8.9 p -67.13 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 64.44 111.111 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -51.68 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 72.52 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.18 -39.33 78.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.3 -35.51 65.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.21 111.102 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -24.34 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 54.32 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.97 -27.79 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.125 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.86 -25.27 28.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.939 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 61.05 111.085 179.808 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.863 0.363 . . . . 72.5 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.33 25.05 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.878 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.568 HG21 HG21 ' A' ' 124' ' ' VAL . 44.5 t -92.22 -19.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 53.44 111.139 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.1 -33.93 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.52 110.911 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.2 -29.13 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.907 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -96.72 -55.43 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 52.03 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.968 HG13 ' HB1' ' A' ' 117' ' ' ALA . 24.6 t -50.82 -30.84 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 70.24 111.155 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.6 ttp -60.69 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 54.24 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.68 -30.98 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.8 tp -67.56 -45.58 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.955 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.748 HG13 ' HB1' ' A' ' 114' ' ' ALA . 60.5 t -64.94 -21.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 62.25 111.142 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.78 -52.65 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.908 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.36 64.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.51 111.112 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.538 HG23 HG11 ' A' ' 43' ' ' VAL . 8.9 p -83.15 -10.89 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.161 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.36 -26.51 21.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.908 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -71.2 -43.05 68.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 54.41 110.929 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.763 HD23 HG21 ' A' ' 43' ' ' VAL . 4.6 pp -61.83 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.906 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' N ' HD12 ' A' ' 24' ' ' LEU . 28.4 mtpp -60.33 -20.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.902 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -101.18 -16.51 17.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.837 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -89.64 9.97 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -69.38 -38.28 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 64.42 110.898 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.7 t -116.06 28.16 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.837 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.34 -40.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.51 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -115.41 159.21 39.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 72.51 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.68 23.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 71.51 112.386 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.67 20.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.276 . . . . 73.43 112.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.745 ' O ' HG12 ' A' ' 37' ' ' VAL . 19.9 tt0 -52.73 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 52.23 110.876 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.64 -30.67 14.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 32.22 112.483 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.747 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -55.3 -45.89 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 71.24 110.965 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 34' ' ' GLU . 3.9 p -59.66 -18.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.083 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.62 -22.47 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 61.55 111.186 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 43' ' ' VAL . 46.6 t -89.08 -40.92 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 61.21 111.154 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 36' ' ' TYR . 22.0 t -56.37 -24.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 61.42 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.03 -55.85 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 64.34 110.889 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -21.81 65.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 64.54 110.923 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.763 HG21 HD23 ' A' ' 24' ' ' LEU . 91.6 t -79.94 -26.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 64.5 111.124 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -9.24 32.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 71.41 112.475 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' HD2' ' A' ' 48' ' ' ARG . 1.1 mt -86.11 -8.84 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 73.42 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.53 -47.1 14.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 65.25 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 pp -61.13 -48.11 83.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.955 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.771 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -67.58 -12.39 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.846 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -94.51 -26.93 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.11 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 50' ' ' LEU . 1.9 pp -95.54 -23.62 17.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 48' ' ' ARG . 9.2 mt -53.95 -31.86 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.139 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.44 -20.79 70.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 62.51 112.505 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.0 p -73.38 -45.77 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 74.42 110.872 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 HD13 ' A' ' 69' ' ' ILE . 2.9 t -82.33 -16.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 72.22 111.12 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.08 -26.04 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 30.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.7 -29.18 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 61.4 110.881 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.39 18.94 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 65.12 110.904 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -50.42 -58.22 10.55 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.596 0.712 . . . . 61.04 110.905 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.82 -6.64 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 73.54 112.348 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -92.03 13.98 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.122 HD22 ' HB1' ' A' ' 127' ' ' ALA . 11.1 mt -103.79 154.62 37.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 71.33 110.927 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.74 179.21 3.84 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 44.33 112.332 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.83 64.24 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.829 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -168.51 -49.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.14 110.858 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -26.64 22.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 73.44 110.856 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -56.89 -45.21 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.23 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -19.29 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 55.43 111.135 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -78.2 -60.23 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 71.11 110.909 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.681 HD12 ' CD1' ' A' ' 61' ' ' LEU . 76.7 mt -63.65 -51.52 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.09 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.01 -24.06 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.914 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 -10.15 47.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 72.45 112.54 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 120' ' ' LEU . 99.6 m -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 62.52 111.111 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.466 ' HB3' HG23 ' A' ' 51' ' ' ILE . 5.2 mm100 -55.12 -27.19 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.943 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -42.25 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.848 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.745 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -77.15 -17.06 58.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 62.12 110.934 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 HD11 ' A' ' 51' ' ' ILE . 1.7 tp -59.58 -25.63 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 63.14 110.935 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -90.24 4.79 49.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 70.24 110.908 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -107.64 -22.78 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 60.52 110.913 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.47 -18.3 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.854 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.769 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -110.19 -17.64 13.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.901 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.09 -27.77 65.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 65.53 111.082 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.99 -31.27 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 74.41 110.896 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 110' ' ' SER . 5.7 tp -67.1 -50.55 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.926 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.8 mt -64.05 -55.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.107 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -52.03 -47.39 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.922 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -65.97 -24.17 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.919 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -68.88 -65.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.874 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -54.45 -27.1 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -78.37 -30.08 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.8 -55.49 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.079 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -57.35 -23.92 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 71.02 110.888 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.92 141.16 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.912 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -69.92 84.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.914 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.69 95.54 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 42.5 111.106 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.32 -24.96 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 62.32 111.136 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -52.58 144.66 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 64.05 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.67 -23.65 52.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.887 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 98' ' ' LEU . 1.8 tt -53.29 -28.29 27.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.932 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -50.63 60.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.886 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -55.24 -41.77 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 74.24 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 61.3 110.88 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.39 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.22 111.072 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -30.09 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 61.53 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -96.32 -25.7 15.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.12 110.832 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.17 -26.24 66.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.516 ' HG3' HD21 ' A' ' 28' ' ' LEU . 6.4 ptm -72.35 -35.33 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.838 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.5 tt -77.64 -21.13 52.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.967 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.8 m -77.09 -20.36 55.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 52.32 111.117 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.0 -26.15 21.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 51.32 111.108 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.765 ' HA ' HD22 ' A' ' 83' ' ' LEU . 94.5 p -61.04 -54.76 40.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 75.24 110.863 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.38 -26.2 39.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.849 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.488 ' HA ' HG12 ' A' ' 115' ' ' VAL . 1.5 m -59.8 -20.89 59.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 63.2 111.153 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.5 mp -80.98 -24.06 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 63.15 110.93 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.748 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.22 -48.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.158 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 112' ' ' THR . 8.8 p -51.37 -29.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 61.4 111.082 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.745 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.25 -44.32 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.891 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.968 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -58.49 -26.46 63.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.114 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.28 -42.73 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 64.04 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.52 -27.66 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.668 ' HB2' HG21 ' A' ' 72' ' ' THR . 3.4 tm? -75.67 -29.83 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.961 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.28 -24.71 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.73 -42.48 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 71.3 110.858 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.98 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 120' ' ' LEU . 7.2 p -89.5 -25.11 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 129' ' ' VAL . 35.3 t70 -54.77 -31.36 58.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 60.33 110.835 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -95.74 -38.53 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 1.122 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 33.41 111.068 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -27.53 69.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.876 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 125' ' ' ASP . 97.2 t -75.31 -41.33 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.117 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.6 mt -75.66 -29.5 59.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 54.31 110.868 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 72.0 111.085 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.818 0.342 . . . . 74.54 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.5 pt? -131.34 4.45 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 51.1 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.67 HG21 HG11 ' A' ' 124' ' ' VAL . 16.2 m -93.34 -6.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 63.21 111.143 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -95.07 -8.34 36.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.916 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.52 -49.56 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.902 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -68.02 -22.86 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.612 ' HA ' HD22 ' A' ' 50' ' ' LEU . 9.2 p -80.26 -29.07 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.34 111.144 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.4 ttp -69.7 -30.78 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 75.42 110.845 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 43.44 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.689 HD12 ' HB ' ' A' ' 46' ' ' THR . 5.2 tt -69.32 -52.28 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 64.33 110.901 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 14' ' ' VAL . 35.9 t -52.34 -28.75 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.17 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -36.49 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 70.02 110.842 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.71 -22.5 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 62.55 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' A' ' 43' ' ' VAL . 10.6 p -93.44 -18.84 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 62.25 111.084 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' HD3' ' A' ' 25' ' ' LYS . 5.7 mt -82.88 -30.03 28.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.904 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.72 -31.76 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pp -81.64 -11.9 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.904 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HD3' HD23 ' A' ' 22' ' ' LEU . 23.7 mtpp -76.85 -62.75 1.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 51.52 110.919 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.66 -18.82 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 45.15 110.854 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.41 -18.84 59.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -50.11 -38.76 40.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 54.21 110.902 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -99.37 42.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.22 -74.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 72.12 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.43 159.26 61.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 44.23 110.913 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.39 21.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 72.31 112.343 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 75.44 112.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -95.03 24.08 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 71.43 110.837 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -120.92 -16.84 4.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 65.15 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.757 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.0 m-85 -95.1 -21.05 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 74.54 110.915 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.414 HG13 HG23 ' A' ' 38' ' ' VAL . 8.3 p -51.51 -34.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.41 111.152 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 37' ' ' VAL . 21.2 t -85.23 -23.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 65.14 111.158 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.711 HG12 ' CG2' ' A' ' 43' ' ' VAL . 20.8 t -78.14 -35.67 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.111 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 36' ' ' TYR . 26.4 t -53.35 -27.56 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 64.25 111.143 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.41 -57.54 9.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 61.31 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.45 -37.66 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.903 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.711 ' CG2' HG12 ' A' ' 39' ' ' VAL . 86.4 t -62.82 -26.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 65.12 111.125 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.27 -9.96 30.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 61.31 112.491 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.695 HD23 ' HD2' ' A' ' 48' ' ' ARG . 6.6 mt -89.05 -16.21 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 61.44 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.689 ' HB ' HD12 ' A' ' 17' ' ' LEU . 9.4 m -76.49 -43.89 37.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.153 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 48' ' ' ARG . 2.2 pp -62.44 -48.13 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 52.13 110.88 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.736 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.5 ptp180 -67.49 -12.48 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.4 110.84 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.63 -30.52 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.4 110.859 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.612 HD22 ' HA ' ' A' ' 14' ' ' VAL . 4.0 pp -91.35 -21.12 21.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.905 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.1 mt -55.22 -31.93 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 42.35 111.141 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.13 -14.58 71.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.507 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.69 -38.42 39.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 75.1 110.821 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.566 HG12 HG21 ' A' ' 69' ' ' ILE . 9.2 t -83.92 -25.78 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.67 -24.97 65.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.914 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.8 -17.06 61.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.563 HD11 HG13 ' A' ' 54' ' ' VAL . 3.3 pp -116.89 -13.14 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.895 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 tp -48.99 -57.96 9.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 62.11 110.899 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.77 -8.26 23.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.716 2.277 . . . . 70.12 112.356 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.3 t -101.68 18.55 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 63.51 110.826 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' A' ' 127' ' ' ALA . 2.5 mp -105.38 160.6 25.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 73.32 110.91 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 75.31 112.307 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.4 p -77.07 67.48 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 t -168.69 -53.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.893 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -96.01 22.53 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 62.44 110.851 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -89.15 -43.74 10.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.855 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -64.57 -23.26 67.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.131 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.02 -59.33 4.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.639 HD12 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -65.77 -46.78 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 64.42 111.173 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -52.58 -35.56 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.865 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.59 -37.84 7.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.471 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.664 ' CB ' HD23 ' A' ' 120' ' ' LEU . 97.5 m -61.59 -52.51 64.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 70.43 111.135 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.37 -21.52 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -48.5 11.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.52 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.683 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -72.74 -13.83 61.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.894 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 51' ' ' ILE . 1.5 tp -62.62 -16.35 56.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.929 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -101.14 5.95 42.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -106.32 -33.47 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.951 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.86 -27.37 29.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.02 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.823 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -101.44 -14.69 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 55.32 110.962 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.559 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.06 -32.79 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 64.04 111.078 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.96 -30.76 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.6 tp -65.82 -49.86 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 71.34 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.55 HG12 HG11 ' A' ' 40' ' ' VAL . 25.6 mt -60.61 -49.72 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.11 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.09 -35.74 75.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 62.13 110.912 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -72.09 -25.44 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.21 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.2 tpp -72.66 -56.39 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 54.41 110.83 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -60.46 -19.12 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.42 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -97.78 -22.27 16.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.928 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.52 -58.33 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.09 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -82.6 1.25 39.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.925 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -51.61 161.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.22 110.922 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.25 84.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 62.54 110.908 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -117.15 -40.82 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.089 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t 52.27 70.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.178 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.3 m -160.94 149.42 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 73.41 111.149 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -58.79 -27.04 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 62.15 110.875 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.1 tp -55.83 -26.79 48.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 64.31 110.897 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.1 t -53.82 -28.02 32.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 61.3 110.865 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.87 -33.29 49.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.88 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.26 -48.29 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 62.42 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.01 46.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 55.22 111.125 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -69.72 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 70.11 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -56.96 -41.61 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 61.2 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -58.62 -31.71 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ttp -63.0 -50.46 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.848 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.411 HD12 ' HG2' ' A' ' 25' ' ' LYS . 12.2 tp -57.98 -27.02 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.51 110.94 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 m -76.51 -11.82 59.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 74.13 111.12 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.32 -43.19 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.32 111.031 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.716 ' HA ' HD22 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -56.78 -52.98 62.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 62.34 110.858 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.762 ' O ' HG13 ' A' ' 115' ' ' VAL . 5.0 t-160 -56.2 -25.83 48.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.4 110.837 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.7 m -60.9 -17.3 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 65.33 111.131 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.1 mp -83.92 -24.28 30.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.909 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.503 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.34 -37.33 10.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 34.53 111.106 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.762 HG13 ' O ' ' A' ' 111' ' ' HIS . 17.9 m -50.7 -29.9 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 70.1 111.102 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.683 ' CG ' HD11 ' A' ' 75' ' ' LEU . 5.0 t0 -80.07 -44.74 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.879 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.584 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -51.36 -34.81 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 72.14 111.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -68.16 -36.66 80.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 64.2 110.866 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -78.87 -23.65 44.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.894 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.664 HD23 ' CB ' ' A' ' 72' ' ' THR . 2.5 tm? -83.36 -39.27 20.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 53.24 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 122' ' ' ASP . 2.0 tm? -55.56 -62.46 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.891 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.5 ' N ' HD13 ' A' ' 121' ' ' LEU . 26.7 t0 -55.98 -25.29 43.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.847 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 120' ' ' LEU . . . -70.05 -39.72 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.24 111.051 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 10' ' ' VAL . 93.0 t -81.55 -25.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 65.2 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -59.55 -53.61 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 24.14 110.863 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -76.55 -33.07 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.938 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -64.6 -43.77 92.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 65.43 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -24.44 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 65.01 110.898 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.37 -40.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 62.41 111.075 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 62.32 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 53.2 111.108 179.73 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 74.51 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -144.12 14.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.868 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.433 HG21 HG11 ' A' ' 124' ' ' VAL . 60.8 t -93.4 -19.73 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.134 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -94.2 -5.45 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.951 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -96.15 -49.02 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -72.13 -22.56 61.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.868 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.795 HG22 ' HB1' ' A' ' 117' ' ' ALA . 6.6 p -78.38 -26.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 41.31 111.119 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.2 ttp -65.17 -47.82 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 64.54 110.838 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.18 -33.69 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD11 HD23 ' A' ' 47' ' ' LEU . 21.8 tp -68.02 -49.87 58.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.889 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.742 HG13 ' HB1' ' A' ' 114' ' ' ALA . 89.9 t -67.8 -23.68 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.087 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -82.65 -52.6 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.5 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.61 -35.45 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.094 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 110' ' ' SER . 10.4 p -79.41 -34.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.117 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -25.69 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 64.41 110.922 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.64 -54.02 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 54.23 110.874 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 110' ' ' SER . 0.8 OUTLIER -60.19 -21.14 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.924 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -58.13 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.912 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.18 -16.95 60.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 75.05 110.885 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.703 ' HB3' HD12 ' A' ' 31' ' ' LEU . 84.1 mt-10 -88.23 7.94 29.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -64.57 -33.79 76.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 62.23 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -121.77 26.08 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 35.21 110.856 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -134.73 6.5 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 60.51 110.868 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 27' ' ' GLU . 96.6 mt -154.78 155.11 30.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.619 0.723 . . . . 45.1 110.921 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.76 20.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 51.11 112.344 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 53.9 Cg_endo -69.73 -12.21 32.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.686 2.257 . . . . 72.34 112.388 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 37' ' ' VAL . 41.6 tp10 -85.26 -17.21 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.875 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -86.47 -11.13 72.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 64.41 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.8 m-85 -85.64 -38.06 18.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 73.53 110.917 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 34' ' ' GLU . 11.4 p -61.59 -25.99 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 34.14 111.106 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 m -87.49 -23.28 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 70.34 111.116 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 43' ' ' VAL . 92.4 t -86.15 -42.96 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 60.25 111.134 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 36' ' ' TYR . 86.8 t -50.12 -29.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.138 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -51.99 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.903 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -78.42 -3.68 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 39' ' ' VAL . 88.2 t -95.71 -27.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 54.32 111.163 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.62 -15.77 16.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 34.41 112.46 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD23 ' HD3' ' A' ' 48' ' ' ARG . 39.6 mt -84.56 -8.38 58.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.891 0.376 . . . . 74.23 110.908 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -82.14 -47.67 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 65.2 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.699 ' CD2' HD23 ' A' ' 113' ' ' LEU . 1.7 pp -62.33 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.89 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HD3' HD23 ' A' ' 45' ' ' LEU . 9.9 ptm180 -67.09 -11.98 58.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.87 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -95.64 -34.22 12.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.959 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD22 ' HA ' ' A' ' 14' ' ' VAL . 4.0 pp -86.58 -26.95 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.94 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 76' ' ' LEU . 10.7 mt -54.73 -31.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 63.31 111.088 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.78 66.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 63.23 112.472 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 p -81.37 -38.19 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 73.25 110.86 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.682 HG12 HG21 ' A' ' 69' ' ' ILE . 12.3 t -88.11 -46.52 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.167 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.481 ' HA ' HD23 ' A' ' 58' ' ' LEU . 8.2 t70 -55.74 -30.56 61.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 63.32 110.849 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.73 -23.68 53.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.829 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.04 12.45 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.908 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.76 -58.81 8.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.6 0.714 . . . . 73.03 110.881 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -7.36 20.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 71.45 112.35 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 m -87.86 -4.89 58.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.862 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -131.28 159.89 69.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 74.32 110.899 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.78 162.84 40.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 52.45 112.35 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p -57.43 -24.57 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 54.32 110.889 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -56.81 -25.33 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.54 110.858 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.424 ' HB2' HD13 ' A' ' 61' ' ' LEU . 45.8 m -112.26 -19.67 12.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.873 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.438 HH21 HG23 ' A' ' 67' ' ' THR . 3.2 ttp180 -51.91 -65.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.438 HG23 HH21 ' A' ' 66' ' ' ARG . 1.9 m -55.7 -24.04 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.41 111.136 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.42 -56.65 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.89 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.682 HG21 HG12 ' A' ' 54' ' ' VAL . 5.3 mt -65.25 -52.69 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.42 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -29.94 23.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.898 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.32 -34.35 8.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 43.04 112.485 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.794 HG21 HD23 ' A' ' 120' ' ' LEU . 90.7 m -70.65 -55.68 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 74.11 111.154 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HB3' HG23 ' A' ' 51' ' ' ILE . 5.3 mm100 -59.96 -20.53 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.924 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -46.99 29.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.704 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER -74.48 -7.04 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.933 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.4 tp -70.86 -14.22 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 61.04 110.894 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -102.17 3.41 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.895 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.44 -16.69 12.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 52.33 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.516 ' CG ' HG22 ' A' ' 112' ' ' THR . 93.8 m-20 -74.1 -13.03 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.847 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.774 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -110.03 -21.04 12.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.882 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.54 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -51.71 -44.32 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 43.1 111.131 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -77.82 -26.03 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 63.21 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.793 HD22 ' HA ' ' A' ' 110' ' ' SER . 11.8 tp -70.91 -61.75 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 71.5 110.878 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.39 -43.49 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 63.34 111.118 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.68 -57.68 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.938 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -59.69 -20.76 58.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.883 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.452 ' HG2' ' HE1' ' A' ' 106' ' ' MET . 0.0 OUTLIER -68.75 -65.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 62.34 110.861 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.97 -25.48 58.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 54.33 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -87.29 -19.63 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.5 83.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.55 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 33' ' ' PRO . 14.6 pt20 -94.47 20.62 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 44.22 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.64 153.72 31.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 65.41 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.62 77.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.846 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.32 160.43 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 63.31 111.098 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.41 -16.71 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.13 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -92.38 16.23 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 45.2 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t 50.7 47.37 24.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.2 110.858 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.3 tt -76.5 -23.93 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.91 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.1 p -51.94 -30.88 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.44 110.868 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -60.21 -35.21 74.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 51.13 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -86.96 -36.31 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.25 -26.14 67.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.114 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.514 ' O ' HD11 ' A' ' 28' ' ' LEU . 3.7 mtpp -64.14 -37.55 87.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.877 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -86.86 -19.55 28.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.848 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 108' ' ' THR . 32.6 mm-40 -85.67 -17.59 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.858 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.452 ' HE1' ' HG2' ' A' ' 87' ' ' MET . 1.7 ptp -86.75 -22.46 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.53 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.51 -24.08 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.933 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 105' ' ' GLN . 14.5 t -74.32 -18.66 60.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 61.33 111.168 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.61 -39.75 13.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 71.11 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.793 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.6 m -54.86 -45.38 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.888 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -27.14 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.861 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 79' ' ' ASP . 2.4 m -59.91 -22.07 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 61.31 111.131 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.6 mp -80.29 -23.18 40.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.894 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.742 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -42.23 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.11 111.144 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.1 p -50.87 -30.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.35 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.704 ' CG ' HD11 ' A' ' 75' ' ' LEU . 1.6 t70 -84.5 -33.14 23.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.851 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.795 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -68.86 -13.14 62.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 43.21 111.113 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -92.14 -27.22 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.35 110.862 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.32 -20.44 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.89 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.794 HD23 HG21 ' A' ' 72' ' ' THR . 3.4 tm? -80.28 -39.35 29.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.07 -29.9 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.926 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -78.83 -47.44 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.857 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.16 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 55.1 111.127 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 10' ' ' VAL . 95.6 t -77.11 -26.9 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.33 111.155 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 129' ' ' VAL . 15.3 t70 -53.22 -36.86 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 64.4 110.902 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.66 -38.1 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.934 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -53.86 -51.94 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 35.21 111.097 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.4 -24.63 63.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 61.34 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 125' ' ' ASP . 86.0 t -80.81 -40.2 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 55.42 111.134 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.8 mt -74.01 -21.66 59.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 33.22 110.932 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 53.24 111.105 179.767 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 73.02 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.682 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.8 pt? -83.1 -9.5 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 62.54 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 124' ' ' VAL . 86.3 t -54.56 -48.39 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.168 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.447 ' HB2' HD13 ' A' ' 121' ' ' LEU . 6.7 p90 -80.96 -1.1 42.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 63.13 110.929 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 9' ' ' LEU . 14.7 mt -95.01 -26.48 16.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 65.3 110.947 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -95.1 -19.07 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.661 HG22 ' HB1' ' A' ' 117' ' ' ALA . 9.1 p -81.53 -26.74 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.128 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.7 ttm -60.01 -57.9 10.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -51.35 -41.32 60.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 55.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.24 -58.67 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 63.25 110.959 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.65 HG13 ' HB1' ' A' ' 114' ' ' ALA . 25.3 t -58.85 -21.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.126 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.94 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.851 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.61 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 62.2 111.101 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' A' ' 114' ' ' ALA . 7.8 p -93.23 -9.09 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 60.33 111.181 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.625 HD23 ' HD3' ' A' ' 25' ' ' LYS . 6.6 mt -89.16 -28.01 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.929 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.91 -27.09 61.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.661 HD11 ' OG ' ' A' ' 110' ' ' SER . 1.6 pp -86.13 -2.77 58.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.5 110.909 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.625 ' HD3' HD23 ' A' ' 22' ' ' LEU . 18.3 mtpt -86.04 -62.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.909 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.85 -24.69 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 61.34 110.904 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -93.83 19.13 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.859 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -74.02 -26.8 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.903 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -110.25 22.12 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.821 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.735 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.8 mp0 -118.62 -16.94 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.905 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 30' ' ' GLN . 0.9 OUTLIER -136.66 157.76 74.44 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 71.23 110.89 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.75 169.28 19.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 75.45 112.327 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.29 30.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 75.24 112.364 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -91.31 14.54 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.938 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.05 -16.2 5.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 41.54 112.485 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.63 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.9 m-85 -91.64 -30.32 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 75.4 110.956 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.15 -37.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 72.14 111.153 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.91 -24.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.03 111.113 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.712 HG12 HG23 ' A' ' 43' ' ' VAL . 47.4 t -79.69 -29.96 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.14 111.16 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.78 HG11 HG12 ' A' ' 84' ' ' ILE . 41.9 t -51.68 -29.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 74.3 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -52.46 17.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.907 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -67.56 -22.58 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.911 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.712 HG23 HG12 ' A' ' 39' ' ' VAL . 84.9 t -87.23 -25.62 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.12 111.135 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.566 ' HA2' HD22 ' A' ' 47' ' ' LEU . . . -106.44 3.67 37.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 70.43 112.478 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD23 ' HD3' ' A' ' 48' ' ' ARG . 7.8 mt -92.01 -22.06 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.368 . . . . 74.2 110.894 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -86.61 -39.19 16.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.52 111.099 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.736 HD13 HD23 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -72.06 -14.05 61.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.03 110.886 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.728 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.3 ptm180 -98.51 -21.02 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 70.13 110.882 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -84.04 -39.24 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.2 pp -65.59 -26.32 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.922 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 48' ' ' ARG . 74.7 mt -58.18 -29.46 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.124 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.53 -8.56 87.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 74.14 112.472 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 p -91.82 -29.62 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 75.03 110.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.619 HG12 HG21 ' A' ' 69' ' ' ILE . 10.0 t -97.18 -28.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 71.11 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.565 ' HA ' HD23 ' A' ' 58' ' ' LEU . 21.0 t70 -70.89 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 51.4 110.891 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -79.24 -25.77 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -0.47 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 41.43 110.902 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -48.71 -58.97 7.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.66 0.743 . . . . 63.1 110.924 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 60.34 112.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.5 m -112.01 32.66 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.795 HD21 ' HB1' ' A' ' 127' ' ' ALA . 10.8 mt -118.24 159.23 44.16 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 73.44 110.937 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.31 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.4 65.16 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -174.85 -70.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 50.24 110.837 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.63 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.846 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -56.28 -25.89 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.827 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.97 -24.3 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.149 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.19 -58.76 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.619 HG21 HG12 ' A' ' 54' ' ' VAL . 58.9 mt -57.45 -51.65 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.119 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.693 ' HB2' HD11 ' A' ' 58' ' ' LEU . 6.5 tm-20 -53.7 -28.22 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 60.4 110.892 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.57 -12.44 53.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 50.23 112.466 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.795 HG21 HD23 ' A' ' 120' ' ' LEU . 53.0 m -92.32 -57.15 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.694 0.283 . . . . 73.23 111.143 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.586 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.5 mm100 -51.38 -32.56 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.893 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.89 79.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.4 OUTLIER -73.01 -13.72 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.916 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 47' ' ' LEU . 1.2 tp -71.08 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.925 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -101.06 4.4 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.52 10.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.923 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -16.47 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.859 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -109.97 -21.04 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.11 110.866 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -60.34 -31.92 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.24 111.094 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -88.56 -32.43 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.3 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.6 tp -64.9 -53.98 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 65.22 110.937 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.78 HG12 HG11 ' A' ' 40' ' ' VAL . 34.7 mt -59.45 -36.41 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 72.4 111.146 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -66.34 -40.56 89.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.947 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 55.54 110.89 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 51.6 mmm -71.02 -64.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 60.32 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -55.76 -24.17 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.857 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -90.57 -21.7 21.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -69.85 -49.15 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 43.5 111.098 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 25.69 4.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.955 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -76.92 158.03 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.927 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.06 82.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -121.49 113.11 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.107 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.22 -26.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.52 111.139 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 t -68.43 163.1 24.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.125 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.3 p -90.94 48.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.919 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.4 tt -95.84 -23.17 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.931 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.4 t -51.91 -30.37 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.835 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -55.3 -48.11 74.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 72.1 110.888 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.69 -34.28 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 64.31 110.86 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.49 -15.17 60.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 61.4 111.124 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.48 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.917 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -33.52 11.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 63.43 110.861 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.34 -31.6 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 54.02 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ttm -61.32 -58.36 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.885 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -55.45 -26.83 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.919 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.3 m -60.83 -25.65 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.1 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.3 -42.2 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.41 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.661 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -55.16 -52.6 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 70.25 110.895 -179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.622 ' O ' HG23 ' A' ' 115' ' ' VAL . 21.8 t-160 -55.62 -31.7 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.83 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.6 m -52.81 -42.98 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 52.32 111.128 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 47' ' ' LEU . 5.5 mp -54.75 -27.26 39.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.782 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.1 -35.09 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.22 111.088 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 111' ' ' HIS . 99.2 t -52.47 -29.45 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.13 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.642 ' CG ' HD11 ' A' ' 75' ' ' LEU . 7.8 t70 -88.34 -28.69 20.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.661 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -53.45 -37.03 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 65.1 111.101 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -79.1 -50.9 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.45 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -56.15 -25.67 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.795 HD23 HG21 ' A' ' 72' ' ' THR . 3.0 tm? -86.0 -37.97 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.95 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 11' ' ' TYR . 16.7 tp -54.86 -27.44 42.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 61.33 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.67 -54.1 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 52.34 110.819 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.64 -45.01 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.114 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.694 HG21 HG11 ' A' ' 10' ' ' VAL . 96.9 t -66.9 -34.51 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.11 111.151 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.54 -29.96 62.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.869 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -93.62 -40.77 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.795 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -62.18 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 65.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -24.61 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 63.42 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 78.0 t -94.25 -28.86 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 52.15 111.105 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.47 -25.53 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 52.1 110.907 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.151 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 61.43 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -123.88 -3.39 8.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 65.32 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 53' ' ' SER . 12.6 m -92.96 -23.49 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.35 111.091 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.722 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -86.29 -0.1 55.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.05 110.888 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.77 -50.02 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 62.31 110.948 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -68.95 -20.71 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.642 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 9.8 p -79.33 -25.2 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 65.5 111.163 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.6 ttm -60.61 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.618 ' HG3' HG21 ' A' ' 46' ' ' THR . 7.0 pt-20 -52.96 -33.06 49.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.41 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.591 HD13 ' HB ' ' A' ' 46' ' ' THR . 22.5 tp -65.47 -52.89 49.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.938 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' HB1' ' A' ' 114' ' ' ALA . 58.4 t -61.11 -19.12 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 65.52 111.135 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -53.42 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.32 110.828 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.66 38.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.688 HG11 ' HB2' ' A' ' 114' ' ' ALA . 14.2 p -87.67 -21.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 73.34 111.108 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.576 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.4 tt -81.12 -30.14 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.75 -37.63 85.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.873 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 110' ' ' SER . 1.1 pp -68.28 -15.81 63.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.902 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.664 ' HA ' HD13 ' A' ' 107' ' ' LEU . 27.5 mtpt -69.33 -71.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.906 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.55 -21.56 65.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.71 20.81 8.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.861 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.0 tm? -82.0 -24.77 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.2 t -116.41 26.4 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -134.7 11.3 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -151.94 155.93 33.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 73.12 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.78 20.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 70.12 112.309 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.38 3.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 51.33 112.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.28 -20.58 59.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -87.63 -12.02 67.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 70.11 112.499 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.703 ' O ' HG23 ' A' ' 40' ' ' VAL . 22.6 m-85 -90.37 -37.42 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 55.32 110.941 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.49 -26.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 61.34 111.136 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.93 -20.58 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 53.13 111.081 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 35' ' ' GLY . 85.4 t -85.99 -36.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.35 111.141 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 36' ' ' TYR . 36.4 t -52.33 -29.02 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.31 111.132 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -71.4 -46.87 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.932 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.14 -25.4 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.899 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 21' ' ' VAL . 85.3 t -81.92 -24.06 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 71.42 111.136 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.22 -5.54 37.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 53.02 112.476 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD23 ' HD3' ' A' ' 48' ' ' ARG . 3.9 mt -86.59 -14.8 41.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 73.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.618 HG21 ' HG3' ' A' ' 16' ' ' GLU . 1.1 m -85.91 -30.79 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 70.04 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.697 ' CD2' HD23 ' A' ' 113' ' ' LEU . 4.1 pp -81.16 -21.73 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 71.34 110.862 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.795 ' HD3' HD23 ' A' ' 45' ' ' LEU . 11.0 ptm180 -88.19 -16.66 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.833 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.589 ' CE ' HG23 ' A' ' 46' ' ' THR . 12.2 pttt -97.53 -31.13 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.55 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -78.33 -25.8 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.929 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.61 -32.01 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 70.21 111.127 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.94 -8.91 62.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 73.53 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.408 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -86.27 -36.98 19.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 71.32 110.895 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.6 HG12 HG21 ' A' ' 69' ' ' ILE . 7.4 t -89.17 -39.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 74.05 111.17 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.887 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.7 -28.1 55.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.861 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.3 9.8 42.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.6 mt -51.23 -59.32 7.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 74.15 110.956 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.73 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 73.43 112.353 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -84.03 -6.37 59.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 62.32 110.844 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.607 ' CB ' ' HB1' ' A' ' 127' ' ' ALA . 0.6 OUTLIER -127.04 159.84 62.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 75.15 110.952 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.83 29.62 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.699 2.266 . . . . 74.35 112.408 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.7 p -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 42.41 110.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -34.6 36.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 54.44 110.836 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.613 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 17.6 m -112.21 -27.45 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 65.24 110.821 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.488 ' HG2' HD22 ' A' ' 58' ' ' LEU . 1.1 ttt180 -54.14 -60.57 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.882 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -52.15 -29.25 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.23 111.127 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -77.12 -44.8 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.901 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 54' ' ' VAL . 5.4 mt -66.86 -48.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 55.22 111.136 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' OE2' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -52.0 -35.52 46.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 55.42 110.917 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.76 -38.93 7.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 52.23 112.485 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.66 HG21 HD23 ' A' ' 120' ' ' LEU . 95.2 m -62.84 -51.59 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 74.31 111.111 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -59.67 -19.53 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 64.21 110.931 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -50.66 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -68.95 -16.54 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.905 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.2 -30.3 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -89.35 4.58 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.911 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -108.71 -21.44 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -68.01 -18.71 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.847 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.805 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.08 -18.78 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.916 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.516 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -57.36 -30.07 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.084 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -91.97 -31.01 15.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.2 tp -65.98 -43.81 86.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 43.33 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.534 HG12 HG11 ' A' ' 40' ' ' VAL . 36.8 mt -70.04 -42.97 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 53.41 111.086 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -57.61 -23.15 49.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 9.4 tppt? -85.68 -22.07 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.898 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -59.77 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 43.41 110.869 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.32 -19.12 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 61.5 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.7 tp -97.29 -13.13 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -80.06 -53.59 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.096 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -99.8 36.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 71.45 110.897 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.471 ' H ' ' NE2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -58.35 -21.31 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.87 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.8 50.54 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.899 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.03 -2.17 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.21 111.087 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.92 76.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.127 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -153.67 156.67 38.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.107 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -69.16 -27.9 65.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.45 110.895 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -53.62 -33.9 56.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 72.41 110.906 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -24.25 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.11 110.85 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -74.48 -36.45 63.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.41 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 62.24 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.7 -22.38 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.13 111.104 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.58 -38.98 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.885 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -87.64 -38.0 16.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -65.73 -16.29 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.914 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.518 ' O ' HD13 ' A' ' 83' ' ' LEU . 10.3 ttm -82.99 -26.69 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.89 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 25' ' ' LYS . 8.1 tp -85.34 -37.41 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 t -63.75 -17.23 62.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.35 111.125 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.19 -33.86 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 64.12 111.06 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.639 ' HB2' HD21 ' A' ' 24' ' ' LEU . 93.6 p -58.36 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 64.05 110.819 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -55.17 -26.16 37.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 74.51 110.848 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -61.79 -18.47 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.183 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -82.73 -25.39 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.941 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.747 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.26 -36.72 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 62.21 111.102 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.95 -28.85 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 53.32 111.144 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.691 ' CG ' HD11 ' A' ' 75' ' ' LEU . 2.1 t0 -84.03 -37.86 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 51.53 110.883 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.642 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -55.92 -39.23 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.23 111.082 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.542 ' HE2' HG11 ' A' ' 18' ' ' VAL . 3.6 mptp? -66.83 -38.38 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 70.41 110.89 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -74.97 -25.37 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 120' ' ' LEU . 3.0 tm? -80.81 -33.17 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.954 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' A' ' 11' ' ' TYR . 5.7 tp -62.88 -52.07 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.917 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.07 -28.53 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.882 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.79 -54.64 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.116 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.19 -35.89 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 70.23 111.062 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.47 -33.34 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -90.74 -24.44 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.613 ' HB2' ' CB ' ' A' ' 65' ' ' SER . . . -70.29 -47.59 60.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 53.14 111.125 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -59.13 -21.62 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.5 t -76.8 -43.37 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 61.23 111.113 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -75.15 -18.9 60.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.43 110.896 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 75.14 111.116 179.782 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 74.43 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.6 tp -59.79 -34.5 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 70.14 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 124' ' ' VAL . 6.1 m -68.44 -12.0 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.119 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.526 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -94.58 -21.36 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 53.34 110.929 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.9 -19.09 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.924 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -100.17 -21.25 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 61.21 110.872 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.801 HG22 ' HB1' ' A' ' 117' ' ' ALA . 4.1 p -85.4 -24.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 62.41 111.127 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.1 ttp -77.25 -22.25 52.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 73.14 110.835 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -74.19 -35.2 63.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.35 110.938 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD23 ' A' ' 47' ' ' LEU . 4.9 tt -73.23 -40.86 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.921 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.815 HG13 ' HB1' ' A' ' 114' ' ' ALA . 38.5 t -60.43 -18.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.43 111.147 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -88.03 -56.4 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.0 -23.76 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.125 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.739 HG11 ' HB2' ' A' ' 114' ' ' ALA . 8.8 p -87.81 -14.48 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 71.12 111.109 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.5 tt -87.65 -29.42 21.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 61.15 110.932 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -23.77 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.886 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.763 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.5 pp -88.33 -2.75 58.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.941 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.618 ' HA ' HD13 ' A' ' 107' ' ' LEU . 34.5 mtpt -81.7 -55.21 4.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.903 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -77.33 -22.28 52.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -81.51 -0.55 42.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 65.42 110.863 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -51.82 -42.11 62.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.95 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -106.01 46.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -48.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.949 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.36 158.92 43.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 63.42 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.19 22.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 74.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -30.68 22.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 73.52 112.363 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' O ' HG12 ' A' ' 37' ' ' VAL . 13.9 pt-20 -53.66 -36.99 62.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.9 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.619 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -85.97 -9.16 77.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 63.51 112.528 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.739 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.4 m-85 -85.16 -38.32 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.412 . . . . 72.43 110.912 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.1 p -59.92 -31.08 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 63.54 111.15 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.6 m -81.46 -19.15 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 53.45 111.108 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 35' ' ' GLY . 99.1 t -91.08 -34.8 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.51 111.114 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 36' ' ' TYR . 99.3 t -51.53 -29.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 63.24 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -42.89 71.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 60.2 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -69.48 -27.11 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 63.35 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.594 HG11 HG23 ' A' ' 21' ' ' VAL . 67.8 t -85.57 -20.54 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.24 111.105 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.31 -5.04 37.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 70.22 112.5 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.762 HD23 ' HD3' ' A' ' 48' ' ' ARG . 10.4 mt -90.34 -23.67 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 61.24 110.962 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.683 ' HB ' HD12 ' A' ' 17' ' ' LEU . 6.8 m -67.84 -46.06 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 63.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.699 HD23 HD11 ' A' ' 17' ' ' LEU . 1.4 pp -61.02 -49.8 75.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.904 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.762 ' HD3' HD23 ' A' ' 45' ' ' LEU . 3.7 ptm180 -67.92 -12.31 60.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.86 -27.0 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 14' ' ' VAL . 1.5 pp -95.05 -20.75 19.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.6 mt -54.58 -32.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.11 111.134 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.65 -17.46 72.98 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.48 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 m -74.94 -29.35 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 63.32 110.873 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.534 HG12 HG21 ' A' ' 69' ' ' ILE . 6.2 t -96.69 -35.08 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.137 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.61 -35.65 68.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 60.1 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -62.45 -19.33 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.867 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.89 24.6 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.86 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -60.79 -59.2 14.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 60.13 110.918 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.72 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 73.02 112.395 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -68.07 -15.11 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.901 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' A' ' 127' ' ' ALA . 1.3 mm? -91.83 154.42 43.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 71.21 110.938 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.712 ' CG ' HD13 ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.75 179.99 3.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 72.52 112.335 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -77.55 61.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.854 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -170.29 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 50.13 110.838 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -98.79 -24.33 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.859 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -57.73 -30.85 65.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.817 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 m -70.54 -24.1 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.32 111.149 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.68 -59.92 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.534 HG21 HG12 ' A' ' 54' ' ' VAL . 64.3 mt -62.43 -42.61 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 54.21 111.101 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -15.52 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.936 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.5 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -100.85 -19.07 18.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 70.02 112.481 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.437 HG21 ' HG ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -95.34 -39.03 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.714 0.293 . . . . 72.03 111.136 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -69.79 -11.14 60.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -39.66 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.922 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.683 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -79.62 -16.93 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 62.31 110.908 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 47' ' ' LEU . 1.9 tp -57.95 -34.3 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.93 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -86.18 4.79 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.873 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -108.0 -20.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 52.32 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.77 -19.8 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 63.13 110.863 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.799 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.83 -17.24 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.14 110.91 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.24 -32.64 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 51.33 111.105 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.45 -30.6 17.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.731 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.2 tp -66.28 -49.94 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.02 -41.38 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.4 111.125 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.02 -34.07 76.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.851 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -72.91 -25.36 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.04 110.867 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 74.2 mmm -71.02 -60.35 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 72.53 110.865 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -56.73 -23.51 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 73.41 110.85 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 tp -90.51 -27.54 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.916 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.29 37.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 42.12 111.085 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.74 31.46 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.935 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -94.6 20.64 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 m120 51.91 39.42 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.847 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.44 139.7 24.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 61.42 111.076 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.39 65.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.13 111.129 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 t -121.04 -7.89 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 70.21 111.139 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 63.43 27.32 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 65.44 110.874 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' H ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -121.4 -75.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.87 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.4 m 50.85 25.67 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.855 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -101.39 -54.33 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 70.15 110.877 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.438 ' H ' HD21 ' A' ' 98' ' ' LEU . 10.0 tt0 -58.12 -42.34 85.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.92 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.92 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.23 111.107 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -75.03 -33.0 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.933 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -87.91 -23.49 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -74.63 -43.93 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.898 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.591 ' O ' HD13 ' A' ' 83' ' ' LEU . 6.7 ptp -52.67 -35.81 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 72.15 110.867 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' A' ' 25' ' ' LYS . 7.9 tp -76.42 -40.68 50.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 64.11 110.872 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m -58.55 -21.88 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.06 -36.26 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 74.03 111.069 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.763 ' CB ' HD11 ' A' ' 24' ' ' LEU . 2.8 m -56.97 -53.44 57.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.863 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -55.27 -27.73 48.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -58.0 -22.95 52.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 74.01 111.183 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.4 mp -79.17 -23.37 43.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.929 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.815 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -40.06 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 42.21 111.087 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.3 p -52.39 -28.99 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 71.34 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.683 ' CG ' HD11 ' A' ' 75' ' ' LEU . 3.2 t70 -80.72 -33.41 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.885 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.801 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -65.03 -15.18 62.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 71.43 111.137 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -82.82 -64.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -53.63 -28.23 31.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 52.23 110.893 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.8 OUTLIER -77.13 -39.7 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.898 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 121' ' ' LEU . 11.3 tp -51.7 -37.87 52.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 70.01 110.933 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -80.26 -27.29 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 54.41 110.84 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.422 ' HB3' HD23 ' A' ' 120' ' ' LEU . . . -60.54 -61.9 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.092 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 10' ' ' VAL . 7.9 p -60.52 -29.26 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -62.87 -29.62 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.844 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -102.85 -25.47 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 65.14 110.941 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' A' ' 61' ' ' LEU . . . -78.03 -47.82 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.12 111.105 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -55.48 -25.07 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.23 -36.28 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 60.13 111.167 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.712 HD13 ' CG ' ' A' ' 62' ' ' PRO . 6.6 mt -63.06 -18.79 63.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.98 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 13.24 111.118 179.763 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.866 0.365 . . . . 73.42 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 9' ' ' LEU . 10.9 tp -116.25 -19.47 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 65.15 110.914 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 124' ' ' VAL . 30.0 t -88.86 -13.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.1 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.606 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -94.93 -24.82 16.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 62.22 110.924 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -72.28 -22.33 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.937 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.99 -46.79 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 63.05 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.774 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 2.6 p -55.36 -25.81 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 52.35 111.129 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.4 ttp -69.34 -45.4 69.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.81 -32.88 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.858 HD11 HD23 ' A' ' 47' ' ' LEU . 8.4 tt -79.43 -50.58 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 71.12 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' A' ' 114' ' ' ALA . 49.3 t -58.6 -21.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.068 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -90.41 -46.63 8.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.855 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.87 -16.31 62.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 54.33 111.081 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.58 ' HA ' HD23 ' A' ' 24' ' ' LEU . 8.7 p -93.08 -18.89 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.121 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.8 tt -86.02 -29.39 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 70.15 110.943 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -70.06 -23.09 63.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.2 pp -88.75 -3.24 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.864 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 107' ' ' LEU . 21.4 mtpt -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.945 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.1 -21.68 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -92.58 0.21 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.915 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.71 -43.24 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 71.32 110.903 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -93.1 43.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 63.12 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -134.36 -40.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.55 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -129.01 159.85 66.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 74.43 110.908 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.3 Cg_endo -69.8 169.2 19.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 71.04 112.341 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' HB3' ' HE1' ' A' ' 106' ' ' MET . 53.8 Cg_endo -69.8 -15.94 37.18 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.7 2.267 . . . . 70.25 112.348 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 37' ' ' VAL . 27.4 tp10 -71.02 -15.57 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.875 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.02 -30.05 8.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.673 -0.775 . . . . 73.33 112.462 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.8 m-85 -72.96 -30.79 64.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.845 0.355 . . . . 72.32 110.9 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 34' ' ' GLU . 6.9 p -51.16 -30.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 75.13 111.136 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.23 -29.67 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.104 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.1 t -72.36 -37.43 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 65.11 111.129 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' TYR . 41.4 t -55.71 -24.84 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 64.41 111.101 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.72 -52.32 39.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.923 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.491 HD21 HG13 ' A' ' 39' ' ' VAL . 5.0 p30 -71.91 -20.77 61.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.881 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 39' ' ' VAL . 92.4 t -84.19 -23.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.14 111.081 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.14 -14.61 20.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 64.41 112.522 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' A' ' 48' ' ' ARG . 10.1 mt -84.31 -4.74 59.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 71.3 110.92 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.689 ' HB ' HD12 ' A' ' 17' ' ' LEU . 2.1 m -84.27 -47.65 10.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.55 111.138 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.858 HD23 HD11 ' A' ' 17' ' ' LEU . 1.7 pp -62.46 -47.22 85.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 70.14 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.789 ' HD2' HD23 ' A' ' 45' ' ' LEU . 18.8 ptp180 -67.41 -12.64 60.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.01 110.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -96.53 -29.91 13.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.23 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.1 -22.04 20.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.898 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.6 mt -54.86 -33.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.097 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.28 -13.06 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 53.13 112.492 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 m -86.87 -28.33 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 74.43 110.823 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 69' ' ' ILE . 2.9 t -97.82 -31.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.748 ' HA ' HD23 ' A' ' 58' ' ' LEU . 8.1 t70 -73.92 -17.94 60.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.857 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.38 -23.83 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.14 110.85 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.75 4.61 47.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -50.92 -60.0 6.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.738 . . . . 55.12 110.922 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.83 -8.39 23.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 64.11 112.346 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -101.32 0.64 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.851 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.676 HD22 HD12 ' A' ' 69' ' ' ILE . 1.2 mp -97.03 160.39 29.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 62.02 110.942 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -174.99 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 71.42 112.315 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.7 p -94.24 53.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.02 110.843 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -149.94 -46.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -100.45 -20.93 15.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 60.33 110.855 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -52.78 -50.21 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 72.11 110.858 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.403 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 2.6 m -71.24 -9.69 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.12 111.148 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.47 -47.0 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.883 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.715 HG21 HG12 ' A' ' 54' ' ' VAL . 18.6 mt -72.3 -39.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 55.51 111.133 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HB3' HD11 ' A' ' 58' ' ' LEU . 1.6 pp20? -53.08 -35.37 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.845 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.56 -2.3 65.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.683 HG21 ' HG ' ' A' ' 120' ' ' LEU . 98.4 m -96.18 -43.31 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 74.54 111.118 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -61.65 -17.58 56.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -40.59 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.92 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -74.6 -24.0 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.12 110.885 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 47' ' ' LEU . 2.0 tp -61.92 -17.43 56.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 52.55 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.77 4.29 54.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -101.83 -28.94 12.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.91 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.27 -27.64 67.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.918 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.779 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -104.85 -7.01 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.948 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.069 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.25 -30.79 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.2 tp -67.02 -54.12 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.459 HG12 HG11 ' A' ' 40' ' ' VAL . 37.3 mt -56.28 -49.36 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.115 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.68 -25.73 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 64.44 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -80.1 -26.55 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 52.13 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.457 ' HE1' ' HB2' ' A' ' 36' ' ' TYR . 53.0 mmm -69.12 -56.5 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.855 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -61.57 -17.96 57.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.902 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 tp -98.25 -17.28 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.874 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.564 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . . . -93.06 -22.51 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 51.41 111.097 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -126.19 26.66 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.93 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.02 168.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.912 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.87 59.37 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.33 110.878 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 -174.89 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 54.24 111.114 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.81 58.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -110.24 174.74 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.142 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.7 p -98.73 -24.85 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.826 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.42 -28.02 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.937 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -25.68 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.81 -36.06 69.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 60.33 110.848 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.27 -33.84 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 63.54 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 90' ' ' ALA . . . -68.06 -23.06 64.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 40.42 111.073 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.79 -34.69 78.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 74.13 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -89.29 -20.89 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -87.36 -24.08 24.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 55.24 110.921 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.535 ' O ' HD13 ' A' ' 83' ' ' LEU . 8.5 ptp -75.13 -26.86 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.852 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -82.34 -25.74 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 63.52 110.9 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -24.7 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.45 111.155 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.26 -30.43 19.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 64.43 111.097 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.698 ' HA ' HD22 ' A' ' 83' ' ' LEU . 19.6 m -57.53 -56.86 16.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.851 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -54.44 -26.33 30.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 45.3 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.508 ' HA ' HG12 ' A' ' 115' ' ' VAL . 2.9 m -59.7 -20.5 56.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.33 111.104 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.6 mp -77.9 -23.97 48.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 63.34 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.703 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -49.09 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.085 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 112' ' ' THR . 5.7 p -51.62 -29.29 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.137 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -88.82 -29.13 19.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.86 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.774 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -70.56 -24.24 62.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.42 111.123 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -76.86 -26.05 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -70.3 -29.34 66.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 60.34 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.683 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.7 OUTLIER -78.55 -40.69 34.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.916 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' ' 11' ' ' TYR . 12.5 tp -54.27 -38.58 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.915 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -31.53 71.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.03 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.099 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 10' ' ' VAL . 17.4 m -57.58 -27.58 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.45 111.106 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.75 -52.6 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 62.44 110.875 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -76.29 -27.14 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.916 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -70.45 -42.92 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.076 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -23.67 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.905 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.8 -36.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 72.45 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 65.1 mt -81.17 -26.21 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 54.05 110.908 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 55.32 111.093 179.788 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.833 0.349 . . . . 72.4 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.35 24.71 4.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.2 110.944 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 124' ' ' VAL . 69.9 t -88.04 -43.42 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 61.43 111.141 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.602 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -76.99 -18.15 58.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.9 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD22 ' CD2' ' A' ' 11' ' ' TYR . 2.3 mm? -73.42 -18.79 61.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 62.03 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -99.95 -46.81 5.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.887 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 10' ' ' VAL . 8.6 m -51.84 -29.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.52 111.152 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.2 ttm -59.01 -63.49 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.899 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -51.88 -29.95 21.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.844 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' HB ' ' A' ' 46' ' ' THR . 25.9 tp -70.98 -54.41 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.924 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.943 HG13 ' HB1' ' A' ' 114' ' ' ALA . 99.6 t -60.35 -22.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.2 111.153 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -80.51 -52.57 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.62 -36.73 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 73.11 111.143 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.0 p -77.32 -22.32 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 73.35 111.157 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.7 tt -72.74 -29.93 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 72.15 110.954 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.53 -51.92 37.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.61 HD23 HG21 ' A' ' 43' ' ' VAL . 1.1 pp -58.67 -22.07 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.05 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HA ' HD12 ' A' ' 107' ' ' LEU . 10.8 mtpt -71.9 -69.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 65.22 110.88 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.64 -26.3 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 62.24 110.864 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.96 20.41 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.666 HD11 ' HG2' ' A' ' 103' ' ' LYS . 3.1 tm? -76.32 -25.3 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 74.54 110.958 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.3 t -108.21 43.87 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -134.53 -41.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.09 160.29 31.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 73.43 110.93 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.37 21.76 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 74.21 112.352 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 61.43 112.285 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -97.1 22.58 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 53.15 110.907 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.44 -37.36 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 74.14 112.504 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.739 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.9 m-85 -65.62 -14.7 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.898 0.38 . . . . 74.14 110.934 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.99 -12.52 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 64.31 111.129 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -93.55 -33.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.13 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.12 -24.99 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.54 111.1 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 36' ' ' TYR . 59.3 t -60.86 -18.78 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.15 111.089 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.15 -58.34 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.913 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.451 ' OD1' HG23 ' A' ' 43' ' ' VAL . 23.8 p30 -66.88 -21.32 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.3 110.859 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG21 HD23 ' A' ' 24' ' ' LEU . 52.5 t -83.93 -27.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.51 111.122 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.13 1.54 37.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 62.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.675 HD23 ' HD3' ' A' ' 48' ' ' ARG . 5.5 mt -96.82 -20.98 17.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.364 . . . . 74.23 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.487 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.82 -16.52 60.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 64.31 111.114 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' A' ' 50' ' ' LEU . 3.9 pp -92.17 -42.33 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.907 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.675 ' HD3' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -68.22 -13.97 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.869 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -39.97 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 63.03 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -68.39 -25.68 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.939 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 48' ' ' ARG . 20.6 mt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.132 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.57 -12.19 58.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.744 . . . . 64.42 112.476 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.5 p -85.58 -47.44 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 75.3 110.857 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 HD13 ' A' ' 69' ' ' ILE . 3.0 t -78.13 -18.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 41.54 111.136 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.87 -22.81 39.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 53.33 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.508 ' HB3' HD22 ' A' ' 57' ' ' LEU . 51.5 t0 -58.78 -32.87 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 60.44 110.898 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 56' ' ' ASP . 2.1 mm? -119.0 18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 65.24 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -51.07 -57.48 13.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 54.02 110.906 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.76 -6.34 18.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 53.54 112.321 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -91.67 14.69 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 52.24 110.865 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.024 HD22 ' HB1' ' A' ' 127' ' ' ALA . 4.0 mt -110.13 156.35 40.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 74.12 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.73 -168.66 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.25 . . . . 61.34 112.323 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -89.3 11.16 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 41.12 110.84 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 t -120.23 -17.63 8.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.839 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -112.29 -37.05 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.54 110.851 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -54.26 -47.42 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 65.44 110.883 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -60.04 -20.43 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.1 111.09 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.03 -60.7 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 61.32 110.927 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.716 HD12 ' CD1' ' A' ' 61' ' ' LEU . 67.9 mt -68.24 -46.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.126 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.14 -22.1 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.52 -11.28 33.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 34.21 112.468 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.7 HG21 HD23 ' A' ' 120' ' ' LEU . 66.9 m -95.76 -48.29 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 62.44 111.123 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB3' HG23 ' A' ' 51' ' ' ILE . 4.6 mm-40 -59.64 -21.63 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -39.96 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.895 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.7 OUTLIER -73.57 -18.13 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 52.12 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 51' ' ' ILE . 1.2 tp -59.15 -25.7 64.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 53.21 110.883 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -91.97 4.73 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.6 -24.02 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.44 110.876 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.44 -23.12 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.41 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.773 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.24 -10.35 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 65.23 110.896 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.506 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -61.88 -27.19 68.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.101 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.2 -28.73 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 75.14 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.3 tp -69.29 -44.75 71.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 63.44 110.91 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.37 -34.31 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.51 111.142 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -65.49 -55.59 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.1 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 14.2 tppt? -68.6 -15.54 63.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 64.22 110.885 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 tpt -69.63 -67.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.885 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -58.08 -22.16 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.882 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.72 -17.01 27.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 61.13 110.956 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -70.37 -35.35 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.093 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.2 24.56 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.863 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.728 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -58.89 149.66 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.913 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -100.94 80.19 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.917 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.728 ' HB3' ' OE1' ' A' ' 92' ' ' GLN . . . -144.45 149.44 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.01 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.29 -22.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 61.42 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -51.59 135.25 28.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 71.45 111.12 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -77.52 -16.19 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.881 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.8 tt -51.87 -29.68 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 62.15 110.897 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -51.76 -30.3 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 62.43 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.62 -39.29 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 52.24 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.73 -26.67 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.911 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.95 -24.38 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.04 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.666 ' HG2' HD11 ' A' ' 28' ' ' LEU . 16.8 ttpt -55.7 -59.47 4.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.924 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -70.79 -31.42 68.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 108' ' ' THR . 68.5 mm-40 -74.6 -7.3 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.53 110.903 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.82 -52.86 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.904 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.5 tt -62.26 -23.93 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.939 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 105' ' ' GLN . 14.4 t -66.46 -24.5 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.123 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.71 14.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 65.2 111.103 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.578 ' HA ' HD22 ' A' ' 83' ' ' LEU . 84.1 p -55.55 -50.58 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.838 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.594 ' O ' HG23 ' A' ' 115' ' ' VAL . 15.7 t-160 -53.3 -33.33 52.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.863 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 m -53.28 -40.94 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 74.31 111.138 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -59.51 -25.12 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.91 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -93.67 -44.66 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.14 111.098 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 111' ' ' HIS . 22.1 t -57.99 -23.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.02 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.585 ' OD1' HD11 ' A' ' 75' ' ' LEU . 7.5 m-20 -90.04 -14.68 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.582 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -94.22 21.79 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.21 111.12 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.18 -60.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.932 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -61.54 -18.66 60.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 72' ' ' THR . 3.1 tm? -78.36 -30.49 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.13 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.602 HD13 ' HB2' ' A' ' 11' ' ' TYR . 9.4 tp -58.26 -41.48 84.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.02 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.87 -27.56 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.857 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 120' ' ' LEU . . . -68.38 -50.32 53.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 44.4 111.093 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 10' ' ' VAL . 6.3 p -64.02 -33.18 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 65.3 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.0 -28.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 63.25 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.666 ' O ' HD23 ' A' ' 130' ' ' LEU . 24.7 mm100 -104.18 7.47 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.94 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 1.024 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -108.44 -41.39 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 61.31 111.086 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.79 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.916 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.7 t -84.19 -39.11 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 44.52 111.147 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 126' ' ' GLN . 3.7 mm? -61.09 -24.08 65.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 51.15 111.123 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.341 . . . . 74.31 110.853 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.3 pt? -99.23 -20.6 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.934 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.736 HG11 HG11 ' A' ' 124' ' ' VAL . 3.5 p -54.48 -26.26 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 73.51 111.157 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.99 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.918 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -74.64 -28.53 60.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 72.35 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -86.71 -55.13 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.01 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.764 HG13 ' HB1' ' A' ' 117' ' ' ALA . 39.3 t -52.3 -28.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.115 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.0 ttm -56.76 -53.74 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.9 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.591 ' HG3' HG21 ' A' ' 46' ' ' THR . 4.8 pt-20 -69.83 -23.59 63.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 75.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 46' ' ' THR . 27.0 tp -68.7 -47.72 65.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.953 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.749 HG13 ' HB1' ' A' ' 114' ' ' ALA . 23.1 t -69.2 -24.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 70.12 111.111 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.51 -51.56 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.891 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.91 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.22 111.118 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 114' ' ' ALA . 8.9 p -78.35 -18.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.11 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.0 tp -81.48 -27.53 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -71.25 -38.1 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.587 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.3 pp -72.94 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.01 110.913 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HA ' HD12 ' A' ' 107' ' ' LEU . 10.6 mmmt -74.53 -50.46 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.914 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -76.85 -24.48 52.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 61.23 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.91 -5.12 47.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.843 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.611 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -51.4 -36.84 45.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.885 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.6 t -117.15 46.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 65.01 110.822 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -144.85 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -112.04 155.88 42.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 75.22 110.874 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 168.7 20.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 64.33 112.305 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.87 35.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 72.31 112.374 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.494 ' O ' HG12 ' A' ' 37' ' ' VAL . 40.4 tp10 -73.19 -14.13 61.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.886 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.81 -37.15 6.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 60.5 112.532 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.0 m-85 -57.62 -36.51 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 72.41 110.865 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 34' ' ' GLU . 14.3 p -56.84 -24.22 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 71.41 111.14 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.25 -22.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 65.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 43' ' ' VAL . 58.3 t -84.11 -45.94 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.131 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 36' ' ' TYR . 37.1 t -51.16 -30.13 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.52 111.087 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.76 -51.06 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.923 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -71.43 -24.04 61.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.15 110.87 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 39' ' ' VAL . 88.8 t -79.53 -25.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.125 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.8 30.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.455 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.802 HD23 ' HD3' ' A' ' 48' ' ' ARG . 5.9 mt -83.92 -16.09 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 75.42 110.874 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.652 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.71 -50.06 16.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.168 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.545 HD21 HD23 ' A' ' 80' ' ' LEU . 2.8 pp -60.07 -45.82 91.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.32 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.802 ' HD3' HD23 ' A' ' 45' ' ' LEU . 6.7 ptm180 -67.74 -12.94 61.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.864 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -96.83 -23.7 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.912 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 50' ' ' LEU . 3.8 pp -101.02 -11.24 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 61.25 110.912 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 48' ' ' ARG . 5.3 mt -64.19 -30.36 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 61.01 111.104 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.82 0.29 82.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 64.02 112.518 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 t -92.81 -30.32 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 54.51 110.844 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.6 ' HA ' HD21 ' A' ' 57' ' ' LEU . 2.1 t -97.75 -0.87 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 62.14 111.154 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -86.76 -27.12 23.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.857 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.1 -8.58 56.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 52.15 110.837 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.659 HD12 HD11 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -117.91 -9.41 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.906 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 61' ' ' LEU . 1.6 mt -47.65 -59.98 4.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 74.42 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.77 -8.68 24.22 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.256 . . . . 73.51 112.344 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -110.53 31.2 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 42.11 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.778 ' CD2' ' HB1' ' A' ' 127' ' ' ALA . 13.5 mt -119.32 158.85 47.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.569 0.7 . . . . 73.14 110.962 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HG3' HD13 ' A' ' 130' ' ' LEU . 53.6 Cg_endo -69.8 169.19 19.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 64.03 112.345 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.1 m -80.26 58.59 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.891 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -162.85 -40.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 61.32 110.853 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 69' ' ' ILE . 11.0 p -96.73 -33.31 11.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.84 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.01 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.858 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -58.14 -26.43 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.43 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 44.32 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.503 HD13 ' CD1' ' A' ' 61' ' ' LEU . 3.2 mt -57.74 -45.06 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 73.2 111.126 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.72 -29.12 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.926 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.41 -31.78 6.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 53.35 112.452 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.556 HG21 ' HG ' ' A' ' 120' ' ' LEU . 5.3 m -66.87 -45.16 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 53.34 111.107 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.504 ' OE1' HD11 ' A' ' 120' ' ' LEU . 2.9 mm100 -66.71 -20.22 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 60.33 110.903 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -45.3 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.4 110.873 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.651 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -78.59 -13.54 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 55.24 110.932 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.5 tp -62.51 -16.79 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.926 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -102.03 5.0 40.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.863 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.47 -35.33 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.901 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.2 -26.75 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.94 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -102.84 -14.58 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 65.21 110.926 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.555 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -62.16 -35.68 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 53.45 111.121 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -89.29 -29.92 18.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.1 tp -66.08 -49.11 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.941 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 mt -59.08 -41.18 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.129 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.53 -54.88 42.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.886 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 13.4 tptt -61.34 -19.11 61.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 73.15 110.896 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -65.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.91 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -57.41 -22.89 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 55.34 110.833 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.1 tp -91.46 -17.31 25.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 72.1 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -70.65 -35.3 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 51.14 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.15 23.85 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.928 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.575 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -59.81 150.14 29.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.955 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -108.41 70.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.891 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.575 ' HB3' ' OE1' ' A' ' 92' ' ' GLN . . . -112.62 -169.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 43.33 111.103 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 95' ' ' VAL . 6.7 p -114.5 23.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.121 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.662 HG22 ' H ' ' A' ' 98' ' ' LEU . 3.8 m -53.87 148.08 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 73.54 111.181 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.4 m -88.56 -18.16 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 55.14 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.662 ' H ' HG22 ' A' ' 96' ' ' THR . 4.2 tp -100.45 -73.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 p 54.1 22.88 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.85 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -100.69 -45.77 5.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 65.52 110.882 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -55.58 -32.86 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.915 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.54 -18.02 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.1 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -90.87 -43.41 10.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 63.41 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.69 -26.52 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.862 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -74.9 -13.64 60.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.491 ' O ' HD13 ' A' ' 83' ' ' LEU . 8.6 ttm -87.31 -26.8 23.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 65.45 110.882 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -87.01 -32.82 19.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.44 110.889 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -66.03 -22.19 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.157 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.62 -36.85 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 61.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.755 ' HA ' HD22 ' A' ' 83' ' ' LEU . 97.0 p -56.69 -54.61 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.24 110.87 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.752 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.7 t60 -52.82 -30.89 35.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 m -53.87 -33.24 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 64.32 111.13 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.0 mp -67.06 -39.05 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.908 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.749 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -79.92 -31.14 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 111' ' ' HIS . 85.6 t -56.83 -23.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.116 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.651 ' CG ' HD11 ' A' ' 75' ' ' LEU . 4.4 t0 -91.01 -44.61 9.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.895 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.764 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -55.47 -25.41 36.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.41 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -67.56 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.868 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.49 -25.96 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.556 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.5 OUTLIER -77.29 -43.38 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.44 110.956 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.0 tp -53.8 -27.83 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.951 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.63 -26.29 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 62.11 110.896 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.65 -59.74 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.33 111.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.736 HG11 HG11 ' A' ' 10' ' ' VAL . 23.4 t -59.56 -34.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.04 111.103 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.31 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.13 110.893 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -97.16 -28.07 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.23 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.778 ' HB1' ' CD2' ' A' ' 61' ' ' LEU . . . -69.49 -50.17 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.24 111.128 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.21 58.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.7 t -86.06 -25.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.44 111.148 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.559 HD13 ' HG3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -65.21 -33.08 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.929 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.074 179.816 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.829 0.347 . . . . 63.22 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.26 -30.61 28.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.3 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 14' ' ' VAL . 85.1 t -58.22 -36.99 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.02 111.155 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.754 ' HB2' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -79.39 -18.7 51.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 74.32 110.916 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.519 HD22 ' CE2' ' A' ' 11' ' ' TYR . 1.8 mm? -72.58 -18.16 61.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 63.03 110.928 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -100.33 -47.67 4.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.4 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.804 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 10.1 m -51.48 -29.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 54.32 111.139 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttp -60.37 -58.76 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 65.2 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.71 -36.8 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.05 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD23 ' HB2' ' A' ' 117' ' ' ALA . 23.9 tp -61.54 -45.7 93.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 73.15 110.932 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 ' HB1' ' A' ' 114' ' ' ALA . 59.0 t -68.15 -20.44 25.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.22 111.125 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -85.46 -50.19 7.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.881 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.93 -24.53 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 45.45 111.142 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 114' ' ' ALA . 10.2 p -93.24 -8.92 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 74.11 111.139 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 -26.61 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 63.41 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.28 -30.41 62.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.859 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.632 HD23 HG21 ' A' ' 43' ' ' VAL . 1.6 pp -83.49 -2.8 56.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 72.32 110.931 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HA ' HD12 ' A' ' 107' ' ' LEU . 18.7 mttt -81.84 -61.15 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.936 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -71.95 -22.86 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.849 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -90.05 11.66 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -75.2 -25.4 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.907 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -109.28 44.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.839 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -135.72 -51.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.942 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.3 160.68 28.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 75.13 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.24 19.36 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 73.43 112.353 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -8.64 24.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 74.41 112.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -78.26 -3.53 43.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 64.25 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.16 -47.2 1.09 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 40.33 112.447 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.751 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.6 m-85 -53.28 -30.47 38.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 72.55 110.926 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.39 -25.79 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 63.01 111.152 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.45 -29.19 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -76.51 -25.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.132 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' TYR . 51.3 t -66.23 -17.11 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 54.22 111.169 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.2 -54.63 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.23 110.918 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.39 -23.89 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.917 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.81 HG12 HD22 ' A' ' 113' ' ' LEU . 74.5 t -80.27 -26.49 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 54.42 111.123 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.24 -4.44 38.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 51.05 112.486 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 48' ' ' ARG . 5.7 mt -92.12 -6.59 50.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 65.23 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.443 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.05 -28.28 19.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.068 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.797 HD21 HD23 ' A' ' 80' ' ' LEU . 4.6 pp -85.8 -32.48 21.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 61.14 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.765 ' HA ' HD12 ' A' ' 51' ' ' ILE . 17.2 ptp180 -77.79 -14.71 59.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.874 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.85 -35.14 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.3 110.929 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.06 -24.04 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 54.12 110.901 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 48' ' ' ARG . 19.2 mt -59.34 -27.8 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 51.5 111.149 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.94 1.47 74.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 54.32 112.459 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.87 -27.78 13.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 74.44 110.878 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.695 HG12 HD13 ' A' ' 69' ' ' ILE . 2.7 t -97.86 -23.84 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 64.34 111.144 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.28 -20.86 60.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.851 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -73.33 -12.13 60.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.887 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.01 -2.8 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 45.13 110.923 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.1 mt -49.27 -59.71 6.07 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.645 0.736 . . . . 74.13 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.83 -7.58 21.43 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 74.31 112.321 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -113.66 25.26 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.904 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.707 HD21 ' HB1' ' A' ' 127' ' ' ALA . 9.9 mt -117.64 159.0 43.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.25 110.92 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -174.89 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 73.44 112.373 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.3 p -92.02 51.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -152.63 -47.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 52.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 m -92.99 -34.81 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.846 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -52.52 -44.92 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -71.55 -19.73 62.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.32 111.137 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -60.78 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 62.2 110.876 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.695 HD13 HG12 ' A' ' 54' ' ' VAL . 22.9 mt -54.53 -41.17 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.144 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.39 -35.25 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 61.32 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.44 -8.81 59.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 53.24 112.526 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.781 ' CG2' HD12 ' A' ' 120' ' ' LEU . 28.4 m -93.37 -49.26 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 75.31 111.11 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.17 -32.67 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.1 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.875 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.4 OUTLIER -67.56 -20.37 65.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.92 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.85 -19.75 60.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.924 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.425 ' HA ' HD11 ' A' ' 80' ' ' LEU . 12.5 m-80 -94.81 4.58 53.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -103.38 -24.76 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.879 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.623 ' OD1' HG22 ' A' ' 112' ' ' THR . 12.8 m-20 -65.22 -24.7 67.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 74.55 110.887 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.797 HD23 HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -106.49 -12.16 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 54.3 110.953 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.81 -32.32 73.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.141 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -88.64 -32.1 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 70.42 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.554 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.0 tp -65.76 -53.45 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.884 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.568 HG12 HG11 ' A' ' 40' ' ' VAL . 17.0 mt -61.87 -42.7 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.153 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.35 -29.89 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -76.1 -24.05 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 73.05 110.916 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.9 tpp -72.44 -57.07 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.877 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -60.5 -18.6 52.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.848 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp -98.28 -20.95 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.883 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.83 -57.8 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.34 111.095 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -79.06 -2.05 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 62.12 110.927 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.88 154.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -74.32 83.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.65 170.15 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 62.32 111.106 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.91 30.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.104 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -149.17 170.42 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.172 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -75.79 73.27 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.833 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.0 tp -113.58 -25.52 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -52.01 -43.0 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.11 110.894 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -65.27 -39.18 92.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 65.24 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.51 -50.66 57.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.877 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.65 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.047 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -58.02 -49.04 78.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -78.02 -39.65 41.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -62.77 -26.47 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.933 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.8 ttp -65.12 -61.13 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.872 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -57.62 -24.38 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.8 m -63.34 -24.47 67.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 75.44 111.132 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.42 -27.66 18.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.09 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.554 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.4 m -60.85 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 43.51 110.857 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.9 t-80 -51.17 -34.58 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.891 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.623 HG22 ' OD1' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -54.76 -41.01 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.44 111.127 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.81 HD22 HG12 ' A' ' 43' ' ' VAL . 4.9 mp -61.87 -18.26 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.913 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.944 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -97.05 -32.59 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 54.42 111.084 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 111' ' ' HIS . 4.8 t -80.45 -24.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.51 111.111 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.32 -12.41 60.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 54.34 110.877 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.804 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -88.64 -21.4 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.091 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -87.9 -35.83 17.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.869 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -61.97 -34.82 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.781 HD12 ' CG2' ' A' ' 72' ' ' THR . 3.2 tt -75.15 -49.54 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.11 110.893 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -48.65 -33.27 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.877 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.43 -43.2 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.898 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.85 -23.39 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.13 111.104 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 120' ' ' LEU . 43.0 t -81.7 -36.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.141 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -51.22 -51.17 56.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.858 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -69.66 -27.08 64.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.707 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -65.17 -50.71 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.15 111.126 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.77 -23.78 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 63.24 110.947 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -81.14 -39.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 71.02 111.107 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.8 -26.04 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.883 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.087 179.82 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.841 0.353 . . . . 53.31 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 12' ' ' LEU . 2.2 pt? -56.98 -24.15 51.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.936 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 124' ' ' VAL . 87.5 t -56.56 -26.43 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.159 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.672 ' HA ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -95.25 -19.54 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.947 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 9' ' ' LEU . 6.9 mt -69.42 -15.85 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.932 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -100.73 -42.83 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.55 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.805 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 10.7 m -65.29 -30.27 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 41.13 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -58.92 -40.82 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.18 -29.06 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.884 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.4 tt -78.54 -50.52 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 71.53 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.936 HG13 ' HB1' ' A' ' 114' ' ' ALA . 18.0 t -61.62 -25.21 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.117 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -85.24 -36.39 20.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.87 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.8 -19.58 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 71.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.868 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.3 p -93.08 -18.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.164 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 18' ' ' VAL . 1.6 mm? -85.38 -25.23 27.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 53.12 110.934 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.77 -16.14 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 61.3 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -91.13 -6.2 53.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 54.12 110.931 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 107' ' ' LEU . 40.1 mtpt -91.36 -53.24 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.945 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.64 -12.69 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 71.34 110.843 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -101.91 -0.78 33.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.889 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -51.6 -36.76 46.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.92 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -99.1 42.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.869 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -131.57 -59.37 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD11 ' CZ ' ' A' ' 36' ' ' TYR . 0.4 OUTLIER -112.99 160.69 29.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 70.23 110.903 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.01 19.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 75.34 112.322 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -35.33 12.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 43.32 112.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 37' ' ' VAL . 11.1 tp10 -54.35 -35.13 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 63.24 110.891 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.715 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -84.69 -9.69 80.71 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.766 -0.73 . . . . 64.04 112.459 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -80.97 -20.49 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 75.43 110.927 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.8 p -59.24 -18.44 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 72.42 111.095 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 35' ' ' GLY . 7.4 p -88.26 -10.57 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.137 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 36' ' ' TYR . 0.3 OUTLIER -89.78 -24.95 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.174 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG11 HG12 ' A' ' 84' ' ' ILE . 10.0 t -70.02 -10.47 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.3 111.15 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -50.35 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.895 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' OD1' HG23 ' A' ' 43' ' ' VAL . 11.7 p30 -74.99 -29.84 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 73.1 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 HD22 ' A' ' 113' ' ' LEU . 73.4 t -77.36 -25.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 70.05 111.112 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.18 -37.5 4.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 72.1 112.497 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.1 -38.6 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 43.03 110.914 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.448 HG23 ' HZ3' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -68.79 -29.13 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 61.44 111.161 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.788 HD12 ' HG ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -70.42 -31.56 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.957 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.703 ' N ' HD23 ' A' ' 47' ' ' LEU . 13.0 ptm180 -91.04 -11.59 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.448 ' HZ3' HG23 ' A' ' 46' ' ' THR . 5.5 ttpm? -97.05 -14.2 21.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 64.11 110.911 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD21 HD21 ' A' ' 76' ' ' LEU . 1.4 pp -98.66 -34.81 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.943 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 73' ' ' GLN . 69.9 mt -61.22 -27.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 61.3 111.13 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 4.82 78.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 65.33 112.455 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -111.03 -25.3 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 72.22 110.833 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.652 ' CG2' HG13 ' A' ' 10' ' ' VAL . 3.5 t -98.2 -31.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 61.34 111.16 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' HA ' HD13 ' A' ' 58' ' ' LEU . 5.3 t70 -67.7 -14.04 62.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.24 110.903 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.21 -18.62 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.02 -6.19 22.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.905 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -48.24 -59.66 5.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 63.11 110.985 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.82 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 75.33 112.349 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 t -113.66 23.67 12.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.896 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.774 HD21 ' HB1' ' A' ' 127' ' ' ALA . 10.1 mt -115.65 158.69 41.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 74.13 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.575 ' HG3' HD13 ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.76 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 51.43 112.355 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -94.01 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 43.11 110.85 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.7 t -159.81 -53.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 73.03 110.836 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.6 p -79.33 -36.44 39.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.835 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -57.85 -45.13 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 73.24 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -61.14 -26.43 67.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.24 111.135 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -75.95 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.01 110.869 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.618 HG21 HG12 ' A' ' 54' ' ' VAL . 3.2 mt -55.97 -50.11 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 40.12 111.132 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.97 -26.56 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.892 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.11 -12.19 50.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 21.12 112.479 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.666 HG21 HD23 ' A' ' 120' ' ' LEU . 11.8 m -92.53 -50.31 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.724 0.297 . . . . 71.5 111.118 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.536 ' HB3' HG23 ' A' ' 51' ' ' ILE . 6.8 mm100 -62.16 -17.33 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.872 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -28.64 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.44 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.677 HD21 ' OD1' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -87.89 -18.36 29.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.892 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.788 ' HG ' HD12 ' A' ' 47' ' ' LEU . 6.1 tp -56.54 -38.71 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.31 110.968 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -73.04 -8.3 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.6 -13.4 22.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 42.22 110.889 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -76.81 -24.36 52.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.791 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -108.92 -3.3 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.54 110.897 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.04 111.128 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -90.94 -27.71 18.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 53.42 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.23 -47.94 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 65.44 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 80' ' ' LEU . 12.6 mt -64.83 -45.14 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.086 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -52.89 -41.35 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.601 ' HD3' HD23 ' A' ' 89' ' ' LEU . 1.5 tppm? -88.36 -13.05 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.907 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 tpt -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 43.21 110.887 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -98.15 -9.82 25.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.601 HD23 ' HD3' ' A' ' 86' ' ' LYS . 27.7 tp -98.13 -31.61 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 70.13 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.96 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 63.41 111.116 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -67.35 -16.97 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 70.12 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -51.66 141.78 15.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.876 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.17 65.01 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.34 129.04 34.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 62.11 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.63 -40.37 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.155 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -60.29 166.52 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 70.12 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.96 31.76 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 54.13 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.67 -22.31 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 52.44 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.6 t -51.82 -30.32 22.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.85 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -70.97 -45.88 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.44 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -40.75 89.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 65.51 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.8 -28.26 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 72.13 111.129 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' ' 28' ' ' LEU . 2.0 tptm -60.23 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -30.54 71.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.873 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -71.53 -26.4 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.953 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.6 ttm -69.76 -55.46 9.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 33.03 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 25' ' ' LYS . 2.0 tt -56.49 -24.74 48.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 62.11 110.923 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -74.8 -23.72 58.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.163 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -93.18 -24.14 18.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.108 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.536 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.39 -55.08 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 64.02 110.838 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.69 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.8 t60 -50.88 -31.04 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 61.22 110.874 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -29.01 51.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 75.15 111.133 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.791 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.2 mp -72.26 -31.07 65.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 64.04 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.936 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -86.55 -40.2 15.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.093 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 111' ' ' HIS . 46.5 t -51.21 -35.67 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 72.45 111.132 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.677 ' OD1' HD21 ' A' ' 75' ' ' LEU . 10.0 t0 -76.54 -48.34 19.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 52.42 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.805 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -58.06 -21.9 47.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.106 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -79.58 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -62.3 -17.29 58.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.918 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.666 HD23 HG21 ' A' ' 72' ' ' THR . 3.4 tm? -82.39 -29.44 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.848 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 11' ' ' TYR . 1.1 tt -62.08 -28.97 69.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 71.5 110.949 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -83.96 -31.78 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.88 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.08 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.14 111.097 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 10' ' ' VAL . 28.8 m -88.44 -27.95 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 75.31 111.152 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -52.6 -52.21 56.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 64.25 110.858 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -67.54 -25.42 65.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.55 110.906 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.774 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -73.57 -46.32 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.25 111.127 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -23.89 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.5 -24.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.575 HD13 ' HG3' ' A' ' 62' ' ' PRO . 2.7 mt -70.32 -30.74 67.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.862 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.106 179.805 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.827 0.346 . . . . 72.51 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -126.1 11.06 7.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.93 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.635 ' CG2' HG22 ' A' ' 54' ' ' VAL . 30.2 t -93.23 -36.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 65.42 111.102 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.29 -13.52 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 63.21 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -92.68 -47.31 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.897 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -71.65 -21.33 61.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.897 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.829 HG22 ' HB1' ' A' ' 117' ' ' ALA . 9.8 p -81.84 -27.27 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 73.12 111.142 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ttp -62.8 -53.39 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.59 -32.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.599 HD13 ' HB ' ' A' ' 46' ' ' THR . 30.6 tp -69.52 -42.01 75.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 71.05 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.774 HG13 ' HB1' ' A' ' 114' ' ' ALA . 96.8 t -72.16 -23.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 62.21 111.109 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.71 -52.27 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.29 62.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 61.22 111.077 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 24' ' ' LEU . 10.6 p -81.14 -22.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.152 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.2 tt -74.66 -28.23 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.895 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -32.67 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.681 ' CD2' HG21 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -85.76 1.15 50.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.31 110.89 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG2' HD12 ' A' ' 107' ' ' LEU . 15.4 mtpp -99.99 -23.81 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.921 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -101.87 1.62 37.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HB3' HD11 ' A' ' 31' ' ' LEU . 29.0 mt-10 -109.23 -0.7 19.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -55.15 -37.85 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 72.03 110.923 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -107.43 45.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 53.42 110.843 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.58 -42.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.921 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -140.49 160.85 57.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 43.21 110.926 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 169.06 19.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 62.04 112.306 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.73 26.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 62.05 112.359 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.94 -27.97 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.704 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -97.07 -20.19 24.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 63.14 112.48 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.3 m-30 -73.78 -30.55 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 72.12 110.927 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.71 -33.76 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.55 111.096 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 35' ' ' GLY . 9.2 p -93.12 -18.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 63.41 111.101 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 35' ' ' GLY . 94.0 t -76.25 -40.24 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.42 111.152 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 36' ' ' TYR . 23.5 t -56.75 -23.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.41 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -52.06 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.913 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -72.84 -23.74 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 34.01 110.91 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.681 HG21 ' CD2' ' A' ' 24' ' ' LEU . 97.1 t -81.11 -22.96 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.117 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.33 -15.68 16.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 73.21 112.49 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.766 HD23 ' HD3' ' A' ' 48' ' ' ARG . 11.3 mt -82.73 -4.28 57.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.957 0.408 . . . . 64.45 110.946 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.599 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.65 -50.91 7.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.092 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.747 HD21 HD23 ' A' ' 80' ' ' LEU . 1.5 pp -59.08 -48.52 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 65.32 110.948 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.766 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.2 ptm180 -64.69 -14.84 60.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 61.15 110.881 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -90.41 -30.17 17.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.841 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.53 -30.28 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.44 110.946 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 76' ' ' LEU . 19.3 mt -56.71 -27.55 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.133 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.78 3.92 77.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 54.35 112.471 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 p -105.7 -25.53 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 61.3 110.926 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.667 HG12 HD13 ' A' ' 69' ' ' ILE . 3.2 t -98.2 -22.56 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.13 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.85 -19.37 64.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.898 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.81 -19.31 60.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mp -102.44 -10.45 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 64.35 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 4.9 mt -47.75 -58.67 7.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 73.22 110.895 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.74 -7.88 22.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 72.13 112.334 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 m -116.55 20.9 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.858 HD22 ' HB1' ' A' ' 127' ' ' ALA . 10.2 mt -114.89 159.19 38.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 72.32 110.934 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.37 24.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 71.12 112.342 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 p -75.26 -5.08 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 70.33 110.867 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 -23.87 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -112.46 -24.61 9.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 50.23 110.806 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -51.48 -54.17 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -16.68 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 62.03 111.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.66 -60.6 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.757 HD12 HD13 ' A' ' 61' ' ' LEU . 65.2 mt -69.91 -45.85 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.41 -21.25 59.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 63.43 110.872 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.57 -14.63 37.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 55.33 112.492 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.64 HG21 HD23 ' A' ' 120' ' ' LEU . 39.0 m -96.21 -44.31 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.324 . . . . 54.2 111.186 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.495 ' HB3' HG23 ' A' ' 51' ' ' ILE . 6.2 mm-40 -60.53 -18.59 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.14 110.943 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -40.57 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 72.23 110.891 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -79.05 -16.28 57.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.931 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 51' ' ' ILE . 2.3 tp -61.09 -25.64 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 35.03 110.911 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -92.75 4.44 53.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.848 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -105.33 -24.41 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.935 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.32 -22.98 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.838 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.757 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.66 -11.62 15.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.914 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.54 -38.05 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.076 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -84.44 -27.27 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 64.52 110.863 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 110' ' ' SER . 9.1 tp -70.07 -57.46 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 54.22 110.915 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.65 -45.13 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 72.52 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.63 -31.11 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -88.88 -14.27 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.1 110.871 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.1 tpt -72.79 -56.61 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 73.43 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -69.3 -11.74 61.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -98.12 -30.49 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.963 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.83 -49.47 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.34 111.079 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -95.62 28.24 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.979 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.474 ' OE1' ' HB2' ' A' ' 94' ' ' ALA . 10.4 tm0? -80.93 153.38 27.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.879 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -78.76 83.71 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 44.12 110.899 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.474 ' HB2' ' OE1' ' A' ' 92' ' ' GLN . . . -132.92 -41.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.125 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t 60.04 64.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.11 111.118 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -132.18 174.35 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.116 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.853 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.22 -26.31 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -52.22 -29.95 25.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.24 -52.26 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 62.43 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -56.15 -40.29 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 65.13 110.85 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.63 -27.24 38.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 64.43 111.08 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -76.21 -28.81 57.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 71.34 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -86.53 -35.88 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 74.32 110.884 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.02 -40.15 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 63.15 110.899 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.2 ptp -62.69 -31.95 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.849 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' HG2' ' A' ' 25' ' ' LYS . 14.7 tp -79.02 -25.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.8 m -82.98 -20.68 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.31 111.177 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.05 -37.23 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.496 ' CB ' HD11 ' A' ' 24' ' ' LEU . 64.0 p -54.34 -51.96 63.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.41 110.862 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.675 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.4 t-160 -54.15 -31.25 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.853 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -56.56 -32.15 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.16 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.7 mp -68.0 -24.44 65.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.774 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -95.18 -43.12 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.03 111.067 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 111' ' ' HIS . 25.3 t -56.21 -24.38 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 75.41 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.445 ' CG ' HD11 ' A' ' 75' ' ' LEU . 34.9 m-20 -93.5 -18.93 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.829 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -76.95 -23.89 52.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 71.05 111.055 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.42 -58.68 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.921 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -56.37 -25.1 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.877 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 120' ' ' LEU . 2.4 tm? -87.25 -35.26 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.635 HD12 ' CG1' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -59.51 -29.7 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 61.52 110.927 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -96.29 -33.05 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.875 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.67 -33.16 45.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.078 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.47 HG11 ' HB ' ' A' ' 10' ' ' VAL . 9.5 p -74.47 -30.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.09 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.13 -32.93 74.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.863 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -90.07 -18.91 25.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.911 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.858 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -85.85 -56.19 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 71.11 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -51.67 -46.19 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.89 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.8 p -52.05 -32.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.13 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.1 mt -87.43 -25.37 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 62.53 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 54.25 111.095 179.8 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.902 0.382 . . . . 73.14 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 53' ' ' SER . 1.1 pp -117.84 -18.44 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.24 110.917 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.76 ' O ' HG13 ' A' ' 14' ' ' VAL . 6.2 p -61.95 -39.75 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 60.13 111.151 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.676 ' CB ' HD13 ' A' ' 121' ' ' LEU . 2.7 p90 -72.11 -17.2 62.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 73.21 110.922 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt -81.4 -19.05 43.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -98.85 -39.24 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.52 110.87 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 10' ' ' VAL . 18.1 m -55.71 -30.51 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.11 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.3 tpp -66.28 -43.85 85.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.51 -23.84 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.32 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.679 HD12 ' HB ' ' A' ' 46' ' ' THR . 9.1 tt -82.41 -47.39 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 14' ' ' VAL . 21.5 t -59.59 -37.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.35 111.102 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -74.6 -12.69 60.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.35 -29.15 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 35.15 111.105 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 18' ' ' VAL . 7.8 p -87.7 -21.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.161 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -74.09 -28.0 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.935 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.93 -34.13 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.864 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -80.2 -12.58 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.896 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -61.64 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.877 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.18 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -93.53 16.68 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 51.41 110.886 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -93.02 -50.16 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.891 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -96.02 28.78 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.856 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.37 -36.66 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.623 HD13 ' OH ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -132.99 154.78 81.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 75.51 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.77 168.71 20.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 62.32 112.314 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -158.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 74.02 112.372 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 69.2 49.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 73.52 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.26 -46.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 65.41 112.526 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' VAL . 25.5 m-85 -77.86 -4.14 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 73.43 110.913 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.3 -16.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 73.1 111.143 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.04 -42.59 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.43 111.13 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.2 p -62.65 -19.16 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 73.35 111.155 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 36' ' ' TYR . 98.6 t -60.07 -46.58 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.087 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -43.97 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 39' ' ' VAL . 91.4 t -81.45 -23.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.33 111.146 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -11.71 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 75.31 112.542 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -84.99 -12.93 52.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 75.05 110.951 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.679 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -79.27 -47.07 16.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 75.24 111.113 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 17' ' ' LEU . 1.5 pp -61.78 -47.93 82.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 54.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 51' ' ' ILE . 6.4 ptm180 -68.19 -11.97 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.25 -25.83 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.889 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 50' ' ' LEU . 4.1 pp -97.24 -17.94 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 73.5 110.934 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.3 mt -58.01 -32.09 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 63.41 111.168 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 54.12 112.47 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.764 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -59.03 -25.99 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 62.41 110.863 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.473 HG12 HG21 ' A' ' 69' ' ' ILE . 1.7 t -98.23 -14.92 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.45 111.109 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' HA ' HD12 ' A' ' 58' ' ' LEU . 47.2 m-20 -77.52 -24.49 49.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.877 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.77 -50.29 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 65.32 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -86.95 -2.07 58.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.912 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -49.53 -59.11 7.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 74.53 110.924 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 61.12 112.357 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -95.35 17.68 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.52 110.816 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.908 HD21 ' HB1' ' A' ' 127' ' ' ALA . 3.2 mp -107.69 160.79 25.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 75.34 110.897 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 178.13 4.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 64.13 112.347 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -86.51 71.31 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.85 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -175.1 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 43.15 110.85 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 m -86.64 -25.86 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 71.03 110.83 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -51.36 -43.57 61.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.53 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -63.01 -37.22 86.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 52.32 111.118 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -60.29 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.624 HD12 HD22 ' A' ' 61' ' ' LEU . 15.9 mt -59.11 -48.32 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.117 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.57 -20.9 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.02 110.919 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.49 -16.04 23.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 40.32 112.475 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.501 HG21 ' HG ' ' A' ' 120' ' ' LEU . 19.2 m -96.06 -21.91 17.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.313 . . . . 74.13 111.132 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -86.82 -11.06 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.881 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -35.86 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD11 ' CG ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -79.31 -17.19 55.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.891 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' A' ' 47' ' ' LEU . 1.7 tp -59.2 -26.92 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.892 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -88.37 4.74 45.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 54.22 110.912 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -108.55 -19.38 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.06 -17.19 63.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.03 110.894 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.46 -19.44 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.489 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.0 -34.41 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 53.31 111.089 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -86.89 -32.22 20.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.866 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.513 HD13 ' OG ' ' A' ' 110' ' ' SER . 10.6 tp -64.76 -58.87 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.15 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.632 HG12 HG11 ' A' ' 40' ' ' VAL . 13.0 mt -52.46 -50.74 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.03 111.154 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.29 -24.0 62.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -81.0 -30.13 35.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.881 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 tpp -70.29 -46.66 63.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.22 110.874 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -70.47 -15.65 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.559 HD11 HD23 ' A' ' 98' ' ' LEU . 21.1 tp -98.24 -27.18 14.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.897 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.25 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.53 111.092 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.26 -13.94 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -52.47 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.897 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 95' ' ' VAL . 9.1 m120 -51.3 -48.39 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.872 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 57.25 23.68 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.085 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.1 t -56.76 -23.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.24 111.107 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.8 t -93.23 40.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 71.21 111.161 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t 51.8 71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.879 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD23 HD11 ' A' ' 89' ' ' LEU . 16.0 tp -150.18 33.19 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.979 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -98.6 -58.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.27 -41.97 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.13 110.927 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -62.61 -37.15 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.96 74.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 33.33 111.116 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -61.32 -64.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 63.03 110.901 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -56.45 -26.96 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -75.64 -29.24 59.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 28' ' ' LEU . 7.7 ttm -63.49 -54.3 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.887 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.67 -23.77 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.6 m -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.35 111.172 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.8 -38.81 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 64.24 111.093 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.513 ' OG ' HD13 ' A' ' 83' ' ' LEU . 3.2 m -59.4 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.842 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.6 t60 -53.53 -30.44 41.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 71.43 110.881 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m -58.54 -41.64 86.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 60.42 111.161 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.0 mp -59.32 -26.0 64.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.491 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -92.42 -42.67 9.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.123 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' HIS . 88.6 t -55.82 -35.41 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 55.15 111.178 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.663 ' CG ' HD11 ' A' ' 75' ' ' LEU . 23.8 m-20 -81.6 -12.78 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.848 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -91.85 15.33 13.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 32.1 111.088 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.488 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 3.7 mptt -126.16 -51.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -57.28 -26.09 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.501 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.8 OUTLIER -79.63 -37.44 36.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 54.11 110.939 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.676 HD13 ' CB ' ' A' ' 11' ' ' TYR . 6.7 tp -53.71 -37.5 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 63.41 110.911 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.78 -26.13 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.16 -46.88 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.106 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 10' ' ' VAL . 30.0 m -64.87 -37.09 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 62.44 111.166 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 129' ' ' VAL . 10.1 t0 -54.62 -51.39 65.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.873 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.56 -37.87 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.891 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.908 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -58.01 -45.19 87.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.31 111.119 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -62.37 -17.06 58.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.916 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 125' ' ' ASP . 40.8 t -84.85 -41.02 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.12 111.108 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.48 -36.26 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 53.53 111.113 179.816 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.83 0.348 . . . . 74.3 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -56.35 -31.41 63.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 71.34 110.939 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' A' ' 53' ' ' SER . 19.1 m -66.46 -13.78 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.086 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -35.22 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -51.91 -29.7 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.927 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -86.67 -44.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.063 HG13 ' HB1' ' A' ' 117' ' ' ALA . 25.4 t -59.79 -30.82 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 64.35 111.106 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.9 ttp -71.06 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 63.25 110.891 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.65 -29.71 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.898 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.732 HD12 ' HB ' ' A' ' 46' ' ' THR . 8.7 tt -71.43 -45.85 61.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.933 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 14' ' ' VAL . 85.0 t -56.29 -24.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.17 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -85.54 -49.66 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 64.01 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.768 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.2 p -87.74 -19.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.146 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.825 HD23 ' HD3' ' A' ' 25' ' ' LYS . 2.7 mt -89.7 -28.07 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 43.2 110.912 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.71 -31.83 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.871 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 110' ' ' SER . 2.3 pp -71.47 -29.03 64.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.825 ' HD3' HD23 ' A' ' 22' ' ' LEU . 59.2 mtpt -51.47 -51.87 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.908 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -73.98 -17.84 60.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.904 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.65 -7.48 59.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD21 ' SD ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -51.71 -53.65 36.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.949 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 t -97.56 41.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.835 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -129.93 -63.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.886 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -97.31 159.9 30.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 72.44 110.895 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HD2' HD23 ' A' ' 31' ' ' LEU . 53.6 Cg_endo -69.73 167.51 24.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.263 . . . . 74.33 112.369 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' O ' ' HE2' ' A' ' 87' ' ' MET . 53.8 Cg_endo -69.74 -49.81 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 74.23 112.342 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.81 -17.59 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 72.35 110.884 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.78 9.43 34.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.793 -0.718 . . . . 40.23 112.461 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.33 -25.34 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.365 . . . . 74.0 110.908 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.49 -30.78 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 71.11 111.143 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.9 -22.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 53.3 111.116 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 43' ' ' VAL . 25.9 t -76.43 -35.81 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 54.22 111.093 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.554 HG11 ' CG1' ' A' ' 84' ' ' ILE . 18.3 t -64.61 -19.04 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.104 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -50.15 30.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.895 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -71.27 -11.21 60.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.928 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.606 HG11 HG23 ' A' ' 21' ' ' VAL . 86.1 t -96.11 -24.9 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 63.23 111.185 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -11.62 27.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 72.22 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.804 HD23 ' HD3' ' A' ' 48' ' ' ARG . 16.0 mt -82.73 -17.84 42.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 74.1 110.899 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.732 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.59 -48.82 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.42 111.146 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.727 HD23 HD11 ' A' ' 17' ' ' LEU . 1.8 pp -61.63 -47.54 84.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.898 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.804 ' HD3' HD23 ' A' ' 45' ' ' LEU . 8.7 ptm180 -68.62 -11.93 60.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.859 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -96.66 -21.71 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.903 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.18 -25.58 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.68 HD11 HD23 ' A' ' 76' ' ' LEU . 10.9 mt -55.73 -31.25 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.01 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.15 -10.51 73.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 45.04 112.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.797 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -87.05 -29.82 21.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 62.21 110.864 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.778 HG12 HD13 ' A' ' 69' ' ' ILE . 2.5 t -86.71 -23.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 61.32 111.144 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HA ' HD23 ' A' ' 58' ' ' LEU . 27.6 t0 -72.99 -16.04 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.807 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -71.13 -15.97 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.79 -4.9 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.919 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -47.58 -58.95 6.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 65.12 110.882 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.75 -8.03 22.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 75.3 112.327 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.8 m -117.15 22.79 12.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.31 110.842 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.774 ' CD2' ' HB1' ' A' ' 127' ' ' ALA . 9.4 mt -115.69 159.35 39.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 64.22 110.959 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HG3' HD12 ' A' ' 130' ' ' LEU . 54.3 Cg_endo -69.74 176.25 7.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 75.43 112.366 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.7 m -76.47 -5.05 45.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.89 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.93 -19.09 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.41 110.878 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -112.13 -37.28 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 70.13 110.816 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -52.06 -46.68 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 71.25 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -12.92 60.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 72.45 111.188 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' HB1' ' A' ' 123' ' ' ALA . 1.3 tt0 -81.71 -56.61 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.881 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.778 HD13 HG12 ' A' ' 54' ' ' VAL . 62.9 mt -65.89 -50.56 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.22 111.166 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.756 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.1 tt0 -52.2 -29.51 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.907 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.44 -33.63 7.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 63.31 112.476 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.799 HG21 HD23 ' A' ' 120' ' ' LEU . 90.7 m -70.23 -53.51 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 61.25 111.165 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.27 -25.87 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.891 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -46.53 80.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -75.68 -16.34 60.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.921 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD23 HD11 ' A' ' 51' ' ' ILE . 1.6 tp -58.15 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 65.52 110.869 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -90.56 4.64 50.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -107.66 -25.48 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 54.4 110.912 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -63.76 -18.28 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 45.21 110.891 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.77 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.49 -16.85 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 55.5 110.909 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.16 -34.28 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 62.24 111.048 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -86.13 -29.54 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.924 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.5 tp -68.66 -54.87 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 70.12 110.922 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.554 ' CG1' HG11 ' A' ' 40' ' ' VAL . 43.9 mt -61.07 -54.05 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.5 111.109 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.11 -47.17 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 75.04 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.65 -23.96 67.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.422 ' HE2' ' O ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -68.74 -67.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.884 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.69 -28.42 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -81.94 -31.92 31.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.4 32.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.085 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -54.05 -29.66 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -55.81 110.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -80.69 87.44 5.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 53.35 110.869 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.47 154.85 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.091 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.39 -30.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.25 111.141 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -52.01 143.62 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.32 111.131 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.9 m -95.87 26.05 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 51.53 110.853 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 mt -105.22 19.49 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 62.54 110.931 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -30.61 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.34 -40.75 96.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 53.2 110.856 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.93 -33.27 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.896 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.13 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.131 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -70.07 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -37.06 62.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 61.24 110.893 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -71.47 -26.26 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.933 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.402 ' SD ' HD21 ' A' ' 28' ' ' LEU . 24.2 ttm -69.43 -56.74 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 64.32 110.868 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 25' ' ' LYS . 14.1 tp -59.23 -21.43 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.956 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 m -85.01 -21.64 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 73.34 111.103 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.07 -19.6 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.14 111.103 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.693 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -76.72 -56.95 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.831 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.1 t60 -50.78 -31.26 16.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 72.3 110.834 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.657 HG22 ' OD2' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -53.96 -40.92 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.172 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.4 mp -55.13 -27.19 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.938 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.768 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.1 -44.87 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 72.03 111.067 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' HIS . 30.4 t -56.0 -24.55 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 52.44 111.138 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.657 ' OD2' HG22 ' A' ' 112' ' ' THR . 20.2 m-20 -90.11 -21.17 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.55 110.864 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 1.063 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -81.58 -23.63 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.097 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -68.72 -57.02 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.912 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.5 -27.21 36.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.799 HD23 HG21 ' A' ' 72' ' ' THR . 3.3 tm? -79.16 -37.73 37.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.77 -28.76 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.918 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.74 -31.98 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.878 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 120' ' ' LEU . . . -66.35 -54.3 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.096 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.96 -34.39 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 53.11 111.139 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -59.45 -40.85 88.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.91 -42.14 16.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.895 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.774 ' HB1' ' CD2' ' A' ' 61' ' ' LEU . . . -57.49 -42.04 81.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 53.34 111.091 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -58.4 -21.63 51.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.31 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.7 t -86.52 -38.42 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 73.23 111.121 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.404 HD12 ' HG3' ' A' ' 62' ' ' PRO . 11.9 mt -73.75 -33.19 64.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 52.14 111.117 179.828 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 73.12 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.4 tp -125.84 -34.77 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 64.33 110.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.645 ' CG2' HG11 ' A' ' 124' ' ' VAL . 11.0 m -65.84 -13.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.21 111.134 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -0.95 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.943 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.89 -52.17 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -67.63 -20.15 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 117' ' ' ALA . 5.5 p -84.61 -27.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 43.41 111.107 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.6 tpp -78.03 -24.23 47.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.84 -23.83 55.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.865 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.09 -44.3 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.543 HG13 ' HB1' ' A' ' 114' ' ' ALA . 58.8 t -53.87 -26.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 63.24 111.139 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -56.86 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.89 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.04 111.124 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.517 ' HA ' HD23 ' A' ' 24' ' ' LEU . 9.6 p -79.17 -8.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.138 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.616 HD12 ' HD3' ' A' ' 25' ' ' LYS . 43.8 tp -92.44 -26.57 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 50.24 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.87 -29.92 62.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.926 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.7 pp -79.52 -2.09 40.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.93 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 107' ' ' LEU . 24.1 mtpt -81.1 -64.78 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -69.73 -23.54 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.77 22.02 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.879 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.2 tm? -85.49 -26.77 26.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 70.31 110.961 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -113.03 50.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.857 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.81 -42.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.1 mt -104.58 159.61 28.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 72.22 110.895 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 168.44 21.57 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 73.12 112.376 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -10.47 28.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 71.21 112.37 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -76.21 -25.24 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -87.89 -18.07 56.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 73.22 112.444 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 40' ' ' VAL . 18.1 m-85 -83.39 -40.28 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 73.13 110.919 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.1 -37.96 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.105 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -72.46 -20.78 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 71.33 111.083 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG12 HG23 ' A' ' 43' ' ' VAL . 95.4 t -90.96 -33.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 71.33 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.868 HG13 HD21 ' A' ' 83' ' ' LEU . 85.6 t -51.93 -29.19 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.03 111.16 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.05 -43.06 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.924 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.59 -28.78 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 71.23 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.611 HG23 HG12 ' A' ' 39' ' ' VAL . 70.6 t -82.78 -18.17 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -16.57 14.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 74.3 112.489 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD23 ' HD3' ' A' ' 48' ' ' ARG . 10.9 mt -84.82 -3.62 58.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 73.12 110.933 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.59 -46.12 11.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 60.32 111.17 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 HD23 ' A' ' 80' ' ' LEU . 1.7 pp -63.73 -47.39 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.935 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.3 ptm180 -67.79 -12.66 61.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.867 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -97.64 -30.4 12.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.918 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 14' ' ' VAL . 3.6 pp -91.19 -19.48 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 51.44 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 48' ' ' ARG . 4.8 mt -54.34 -31.27 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 61.33 111.089 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.02 -19.35 73.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 74.13 112.489 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.574 ' CB ' HG12 ' A' ' 10' ' ' VAL . 36.6 p -67.45 -43.61 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 74.33 110.886 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG12 HG21 ' A' ' 69' ' ' ILE . 11.8 t -84.0 -32.06 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.05 111.134 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -57.15 -32.15 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.49 -13.85 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.835 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -7.93 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 62.1 110.882 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -48.35 -58.37 8.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 73.21 110.899 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -6.98 19.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 73.04 112.31 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -104.5 25.82 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.858 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 69' ' ' ILE . 1.8 mp -98.91 164.09 17.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 75.34 110.931 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.08 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 74.2 112.381 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m 72.09 8.19 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 52.11 110.867 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.4 t -110.51 -35.86 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.859 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -105.98 20.17 19.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 41.23 110.859 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' HA ' HD22 ' A' ' 61' ' ' LEU . 35.3 ttt180 -71.1 -41.93 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.872 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -54.86 -23.31 17.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 111.109 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -58.5 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 53.33 110.887 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 61' ' ' LEU . 21.2 mt -65.36 -51.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 65.1 111.115 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -29.58 18.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.04 -32.58 8.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 60.21 112.519 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.602 HG21 ' HG ' ' A' ' 120' ' ' LEU . 97.6 m -65.46 -51.71 58.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 61.25 111.134 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.83 -18.95 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -45.72 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 116' ' ' ASP . 4.3 pp -75.39 -18.79 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.96 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 75' ' ' LEU . 2.5 tp -59.46 -23.49 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.889 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -93.23 5.05 52.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.25 110.834 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -106.67 -23.59 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.895 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.555 ' OD1' HG22 ' A' ' 112' ' ' THR . 60.4 m-20 -65.26 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.937 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.798 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -100.66 -14.97 17.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.905 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -58.45 -60.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.2 111.081 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -68.17 -19.89 64.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.868 HD21 HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -78.44 -32.87 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.894 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.748 HG13 HD23 ' A' ' 83' ' ' LEU . 22.3 mt -78.98 -28.2 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 50.34 111.133 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.43 -52.25 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 71.43 110.905 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 4.3 tppt? -66.03 -22.36 66.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 55.31 110.937 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.517 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 4.6 tpt -64.94 -51.2 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.864 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -76.23 -14.05 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 71.02 110.854 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.98 -7.71 29.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.927 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.42 -5.55 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 55.24 111.095 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -120.48 -8.56 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.54 110.89 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.86 161.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 64.25 110.922 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -100.39 78.09 2.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.9 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.89 133.99 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -55.88 -25.19 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.1 111.114 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -51.67 141.48 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.159 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -96.84 26.17 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.53 110.899 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.11 20.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -27.02 52.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 63.35 110.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.57 -25.83 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.856 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.35 -43.88 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.897 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.452 ' HB1' ' HG3' ' A' ' 86' ' ' LYS . . . -58.37 -24.96 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.32 111.1 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -64.08 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -52.36 -43.22 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.881 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 53.01 110.942 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 25.9 ttm -65.32 -46.17 81.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.857 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 25' ' ' LYS . 13.3 tp -61.38 -31.57 71.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 73.12 110.939 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.0 m -62.23 -20.97 64.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 51.43 111.181 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -96.42 -24.71 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 62.4 111.127 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.643 ' OG ' HD12 ' A' ' 107' ' ' LEU . 70.7 p -65.58 -49.2 69.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.914 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.81 -20.74 52.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.03 110.848 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' ' 79' ' ' ASP . 6.3 m -66.9 -28.63 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.153 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.2 mp -72.03 -24.52 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 53.51 110.887 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.23 -43.67 7.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 61.22 111.091 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 112' ' ' THR . 3.1 p -57.03 -26.84 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 72.13 111.14 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.476 ' CG ' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -91.88 -10.63 38.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.905 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -91.5 -8.38 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.118 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -49.81 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.965 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -52.49 -34.4 49.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 65.14 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.602 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.6 OUTLIER -67.11 -42.1 85.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 61.44 110.955 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.76 -42.88 62.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -79.54 -33.66 41.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 44.32 110.865 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.82 -58.13 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 62.35 111.102 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.645 HG11 ' CG2' ' A' ' 10' ' ' VAL . 11.1 p -66.83 -25.27 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 65.34 111.12 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.98 -48.46 78.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.844 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.65 -36.77 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 61' ' ' LEU . . . -60.32 -43.05 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 70.11 111.115 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -61.83 -33.41 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 64.23 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.91 -36.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 43.1 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.5 mt -67.9 -23.48 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 63.1 110.909 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.106 179.78 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.807 0.337 . . . . 72.04 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 9' ' ' LEU . 7.3 tp -83.26 -35.82 25.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 65.12 110.926 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.626 HG23 HD13 ' A' ' 50' ' ' LEU . 3.7 p -69.74 -29.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 74.23 111.126 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.494 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -79.92 -20.92 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.928 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 mt -86.72 -20.82 27.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.83 -18.78 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.664 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 5.3 p -85.99 -27.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 53.51 111.127 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -73.05 -20.41 60.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.53 110.837 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.83 -18.01 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 74.25 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.7 HD13 ' OG1' ' A' ' 46' ' ' THR . 49.8 tp -87.42 -48.54 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 74.13 110.881 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' A' ' 114' ' ' ALA . 24.3 t -58.71 -20.89 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.1 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -88.16 -16.66 32.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.839 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.12 -18.46 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 61.4 111.113 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.727 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.0 p -92.96 -21.32 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 73.43 111.109 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -90.35 -27.91 19.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.904 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.25 -23.87 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 61.02 110.895 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pp -79.15 -30.38 43.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -50.92 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.909 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.73 -24.05 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.924 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.75 -8.81 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.885 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.7 tm? -54.95 -43.9 73.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 53.45 110.916 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 p -105.4 35.09 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.11 110.887 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -131.91 -39.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -126.7 158.4 68.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 74.42 110.885 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.84 17.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 74.02 112.372 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -31.42 20.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 75.42 112.418 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -49.83 -34.42 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.717 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -82.2 -30.31 34.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 75.51 112.52 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.754 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -56.79 -38.16 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 73.42 110.895 -179.817 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.448 ' N ' ' HE1' ' A' ' 87' ' ' MET . 0.3 OUTLIER -64.07 -25.03 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 70.02 111.123 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.5 t -91.57 -16.04 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.096 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 35' ' ' GLY . 22.0 t -90.18 -35.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 44.41 111.127 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 36' ' ' TYR . 58.6 t -59.48 -19.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 55.33 111.154 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -51.68 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 63.22 110.901 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -72.01 -18.42 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 55.33 110.917 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.645 ' O ' HD11 ' A' ' 17' ' ' LEU . 59.9 t -94.56 -19.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 52.12 111.09 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.42 -13.86 21.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 34.14 112.502 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.771 HD23 ' HD3' ' A' ' 48' ' ' ARG . 15.4 mt -85.29 -21.85 28.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 61.14 110.907 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.7 ' OG1' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.42 -49.46 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.13 111.088 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 48' ' ' ARG . 1.6 pp -58.53 -47.58 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.15 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.771 ' HD3' HD23 ' A' ' 45' ' ' LEU . 7.1 ptm180 -70.87 -9.21 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 63.11 110.886 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -97.29 -25.95 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 64.52 110.908 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.626 HD13 HG23 ' A' ' 10' ' ' VAL . 2.3 pp -93.89 -24.52 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.938 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 48' ' ' ARG . 12.8 mt -55.25 -30.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.123 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.39 -15.89 75.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 72.5 112.531 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' HD12 ' A' ' 57' ' ' LEU . 10.4 m -86.38 -22.28 26.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.389 . . . . 73.43 110.872 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.537 HG12 HG21 ' A' ' 69' ' ' ILE . 2.5 t -98.82 -47.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 42.32 111.132 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' HA ' HD23 ' A' ' 58' ' ' LEU . 2.6 t70 -56.85 -33.71 67.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 63.41 110.891 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -15.21 60.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.863 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 53' ' ' SER . 17.8 mt -101.44 10.53 40.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 71.11 110.907 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.33 -58.47 8.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 55.33 110.927 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.74 -6.77 19.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 75.03 112.356 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -90.64 -6.1 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 53.04 110.877 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.712 ' HB3' ' HB1' ' A' ' 127' ' ' ALA . 0.4 OUTLIER -129.08 159.64 67.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 74.54 110.906 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.77 157.58 59.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 60.13 112.325 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -53.17 -34.34 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 71.23 110.833 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -51.57 -29.33 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 63.35 110.847 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -102.87 -19.69 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.903 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -63.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 73.11 110.919 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -29.63 15.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 61.04 111.135 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.34 -57.62 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.537 HG21 HG12 ' A' ' 54' ' ' VAL . 7.2 mt -61.38 -57.0 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.133 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -54.19 -25.51 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.95 -12.55 55.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.721 . . . . 45.35 112.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 75' ' ' LEU . 83.8 m -96.21 -49.6 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.719 0.295 . . . . 61.54 111.158 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -59.32 -27.53 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.913 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -42.87 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -77.04 -16.94 59.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.954 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 51' ' ' ILE . 1.9 tp -57.8 -34.24 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 52.23 110.962 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -85.89 4.8 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.908 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -106.92 -20.45 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.919 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' OD1' HG22 ' A' ' 112' ' ' THR . 78.8 m-20 -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.13 110.877 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.823 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -106.61 -16.64 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.945 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.542 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -60.35 -27.63 67.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 63.41 111.14 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.79 -30.22 13.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.876 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 110' ' ' SER . 6.2 tp -67.9 -35.0 77.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.53 110.864 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.75 ' CG1' HG11 ' A' ' 40' ' ' VAL . 48.3 mt -83.16 -34.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.091 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.32 -21.27 58.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.854 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -86.45 -37.26 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.915 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.448 ' HE1' ' N ' ' A' ' 37' ' ' VAL . 7.6 ptm -67.44 -29.72 69.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.83 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -85.66 -18.27 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 72.54 110.875 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 tp -98.06 -19.3 18.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.934 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.63 -47.96 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.44 111.12 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -55.31 -26.09 38.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 73.23 110.937 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.6 133.95 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.28 75.33 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.05 110.877 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 144.95 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 75.35 111.1 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.57 43.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -153.58 168.41 26.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.12 111.138 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -91.49 47.16 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.833 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.4 tp -105.73 -25.81 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 74.13 110.957 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.7 t -52.46 -33.29 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -52.3 -41.13 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.856 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.15 -34.36 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.936 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.52 -3.96 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 54.21 111.086 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -40.24 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.837 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -22.44 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 74.55 110.919 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.21 -25.26 62.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.941 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.0 ptm -77.06 -32.04 56.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.04 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tt -79.02 -22.93 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.923 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.5 m -74.53 -21.27 59.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.177 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.19 -34.11 26.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.02 111.106 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 83' ' ' LEU . 94.2 p -56.34 -55.16 36.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.854 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.13 -28.31 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 64.12 110.836 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.415 HG22 ' OD1' ' A' ' 79' ' ' ASP . 2.4 m -57.05 -24.32 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 64.42 111.124 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.1 mp -79.43 -21.9 44.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.727 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.04 -42.61 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 65.55 111.07 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.91 -29.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 63.15 111.149 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.679 ' CG ' HD11 ' A' ' 75' ' ' LEU . 2.0 t0 -82.36 -31.81 29.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -66.75 -29.33 69.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.077 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -76.04 -45.68 33.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -63.66 -28.41 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.911 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -42.39 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.882 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.59 -30.41 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.03 110.96 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -29.96 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 60.33 110.879 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.4 -54.49 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 51.52 111.066 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 10' ' ' VAL . 11.1 p -66.47 -29.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.34 111.107 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 129' ' ' VAL . 4.0 t70 -51.85 -55.57 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.896 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.25 -33.18 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 62.12 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.712 ' HB1' ' HB3' ' A' ' 61' ' ' LEU . . . -61.99 -46.85 87.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.02 111.121 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -66.88 -21.24 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 52.53 110.877 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 125' ' ' ASP . 93.3 t -86.96 -38.34 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.32 111.1 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.82 -22.49 42.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.1 111.086 179.788 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.904 0.383 . . . . 63.33 110.816 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -59.66 -21.45 60.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.5 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.751 HG21 HG11 ' A' ' 124' ' ' VAL . 85.7 t -58.76 -41.92 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 71.42 111.161 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.68 -18.03 57.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.877 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 11' ' ' TYR . 2.4 mm? -74.15 -18.58 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -100.19 -46.12 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.14 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.757 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 9.7 m -51.48 -29.73 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 52.11 111.143 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -66.02 -47.05 75.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -52.21 -29.49 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.888 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.893 HD11 HD23 ' A' ' 47' ' ' LEU . 8.4 tt -81.06 -51.18 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.598 HG13 ' HB1' ' A' ' 114' ' ' ALA . 62.3 t -55.71 -23.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.31 111.152 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -82.9 -55.56 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' ND2' ' A' ' 42' ' ' ASN . . . -51.35 -40.4 59.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.09 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 17' ' ' LEU . 5.4 p -74.64 -27.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.109 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -31.81 73.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.934 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.9 -45.36 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.931 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -74.74 -9.53 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.912 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 107' ' ' LEU . 3.8 mmmt -84.63 -24.22 29.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.902 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -111.33 -28.76 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.901 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -87.92 0.48 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.585 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -51.7 -38.56 55.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.898 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -100.23 42.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.836 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.741 ' HB3' HD23 ' A' ' 31' ' ' LEU . 2.1 tp-100 -130.62 -61.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.921 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.741 HD23 ' HB3' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -112.25 159.96 31.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 73.42 110.882 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.08 22.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 71.14 112.327 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.22 31.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 52.2 112.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.32 -26.53 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.07 -1.37 54.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 33.22 112.481 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -98.57 -24.81 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 75.31 110.908 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.33 -26.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 73.12 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 p -93.04 -22.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 64.51 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 43' ' ' VAL . 82.8 t -74.08 -39.21 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.135 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.55 -24.51 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 61.43 111.09 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.49 -54.22 35.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.885 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.556 ' ND2' ' HB1' ' A' ' 20' ' ' ALA . 1.8 p-10 -70.09 -17.28 63.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 51.12 110.91 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.847 HG12 HD22 ' A' ' 113' ' ' LEU . 57.8 t -82.5 -29.03 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.176 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.46 31.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 53.33 112.453 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.809 HD23 ' HD3' ' A' ' 48' ' ' ARG . 8.7 mt -84.84 -19.56 32.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 64.31 110.925 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.621 ' HB ' HD12 ' A' ' 17' ' ' LEU . 3.9 m -69.31 -51.85 33.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.112 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.893 HD23 HD11 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 40.03 110.936 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.809 ' HD3' HD23 ' A' ' 45' ' ' LEU . 6.9 ptm180 -65.17 -13.94 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.875 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -92.28 -30.58 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 50' ' ' LEU . 1.5 pp -90.46 -25.85 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 62.54 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 48' ' ' ARG . 14.6 mt -55.79 -30.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.093 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.03 -8.56 64.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 30.31 112.473 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.7 p -91.35 -33.16 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 73.33 110.894 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.64 HG12 HG21 ' A' ' 69' ' ' ILE . 12.8 t -92.5 -29.13 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 70.23 111.086 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -55.69 -30.7 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 55.05 110.846 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -79.01 -25.52 43.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD23 HD11 ' A' ' 61' ' ' LEU . 2.9 tp -86.02 -14.05 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.89 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt -50.71 -60.39 5.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 75.35 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.74 -9.45 26.15 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.269 . . . . 72.41 112.326 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t -98.47 2.27 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 44.14 110.862 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.692 HD21 ' HB1' ' A' ' 127' ' ' ALA . 1.5 mp -98.78 160.22 28.41 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 75.34 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.604 ' CG ' HD13 ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.7 -170.62 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 72.2 112.361 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.1 p -97.7 53.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.829 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.8 t -152.86 -46.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -102.03 21.88 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 54.14 110.881 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -86.78 -43.25 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 73.13 110.847 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -62.52 -30.3 71.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.126 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.56 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.855 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.674 HD12 HD22 ' A' ' 61' ' ' LEU . 17.6 mt -62.12 -53.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.14 111.192 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.81 -27.76 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 43.22 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -97.48 -9.15 55.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 75.22 112.448 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 1.014 HG21 HD13 ' A' ' 120' ' ' LEU . 44.9 m -96.07 -52.18 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 45.12 111.129 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -57.86 -23.1 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -40.89 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.922 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -78.83 -15.75 57.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.935 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.4 -21.79 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.925 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -97.24 4.42 50.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.57 -23.37 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.894 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.457 ' OD1' HG22 ' A' ' 112' ' ' THR . 88.0 m-20 -66.65 -20.3 65.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 60.21 110.885 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.38 -14.44 14.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.904 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.36 -33.38 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 60.3 111.124 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -88.72 -29.18 20.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.877 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.3 tp -68.95 -57.95 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.3 mt -52.86 -36.77 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 61.32 111.166 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.37 -40.67 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.901 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -78.7 -16.84 56.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 74.14 110.88 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.23 -51.3 25.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.07 -13.44 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.892 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 tp -98.04 -20.51 17.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 70.41 110.937 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.94 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.082 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.05 28.71 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.876 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 156.63 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -79.26 75.25 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.908 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.61 156.62 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.081 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 p -104.21 -26.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 63.03 111.126 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.1 t -58.41 163.24 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.14 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.6 m -97.87 27.61 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.34 110.867 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.2 tt -80.63 -24.98 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 m -52.14 -30.06 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -51.97 -45.0 64.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -59.87 -45.5 92.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 54.44 110.864 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.83 -26.66 68.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.117 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -62.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -60.07 -41.52 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.887 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -63.22 -25.08 68.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.899 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.5 ttp -68.62 -59.15 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.858 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.2 tt -57.2 -24.18 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.876 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -68.72 -19.83 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.52 111.114 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.66 -31.28 13.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.42 111.128 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.744 ' HA ' HD22 ' A' ' 83' ' ' LEU . 84.9 p -60.16 -51.27 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.857 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -55.31 -25.98 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.925 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.457 HG22 ' OD1' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -61.83 -20.22 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.33 111.134 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.847 HD22 HG12 ' A' ' 43' ' ' VAL . 5.3 mp -81.09 -24.68 37.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 74.22 110.939 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.598 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.08 -39.64 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 63.0 111.095 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.86 -29.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 50.01 111.163 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.748 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -85.03 -44.41 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.898 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.757 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -57.14 -22.86 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 55.34 111.094 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 121' ' ' LEU . 6.9 tptp -73.37 -65.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.867 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -64.18 -22.37 66.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 60.34 110.896 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 1.014 HD13 HG21 ' A' ' 72' ' ' THR . 12.9 tp -72.28 -33.02 67.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 64.44 110.969 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -66.64 -26.48 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 62.03 110.93 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.06 -50.07 13.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.91 -31.0 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.104 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 10' ' ' VAL . 91.3 t -86.68 -37.77 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 53.13 111.114 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -53.69 -51.03 64.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.837 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -71.59 -34.48 69.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 71.22 110.896 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.703 ' HA ' HD12 ' A' ' 130' ' ' LEU . . . -61.39 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.077 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -25.1 59.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.7 t -82.59 -35.17 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 61.54 111.128 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 127' ' ' ALA . 4.4 mt -55.05 -34.16 63.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 62.52 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 32.31 111.091 179.783 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.782 0.325 . . . . 72.01 111.121 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -150.88 128.24 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 73.03 110.873 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.3 mt -100.24 58.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.939 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -64.06 145.97 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 74.41 110.815 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -131.58 117.63 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.873 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.81 98.11 9.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 71.2 111.145 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -106.89 -37.33 6.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 62.11 110.873 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -91.6 123.46 35.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 65.21 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.3 pt? -102.29 17.61 23.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 70.03 110.906 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.692 HG11 HG21 ' A' ' 124' ' ' VAL . 92.8 t -93.15 -33.72 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.04 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -88.48 0.51 56.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.912 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -85.1 -57.2 3.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 64.24 110.909 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.82 -49.49 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.5 110.876 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 6.4 p -52.23 -28.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.41 111.106 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -62.45 -38.17 88.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.6 -31.16 71.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' HB ' ' A' ' 46' ' ' THR . 8.6 tt -71.39 -50.08 35.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.543 HG13 ' HB1' ' A' ' 114' ' ' ALA . 26.5 t -54.36 -26.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 -48.86 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -24.02 67.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.097 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.574 ' HB ' HG13 ' A' ' 43' ' ' VAL . 9.6 p -91.46 -18.73 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.137 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 tp -81.74 -26.34 34.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.942 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -73.07 -33.02 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.878 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.3 pp -79.89 -2.39 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 54.35 110.924 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -89.68 -19.79 24.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -107.68 -25.46 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 61.14 110.845 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -80.52 -6.21 57.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.2 110.888 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.558 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.83 -41.36 61.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.12 110.89 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -97.42 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 62.12 110.83 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -137.54 -72.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 72.45 110.924 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.95 159.36 31.65 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 74.4 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.11 22.47 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 65.42 112.365 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -17.32 37.94 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.696 2.264 . . . . 71.5 112.375 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.575 ' O ' HG12 ' A' ' 37' ' ' VAL . 36.3 tp10 -62.74 -31.9 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.23 110.893 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.37 -21.08 42.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 72.53 112.491 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.93 -27.74 60.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.952 0.406 . . . . 71.35 110.912 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 34' ' ' GLU . 10.5 p -53.64 -28.89 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.42 111.109 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -87.81 -24.32 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.01 111.097 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.5 t -72.78 -42.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.144 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG11 HG12 ' A' ' 84' ' ' ILE . 40.7 t -54.86 -25.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.164 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.65 -55.31 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.904 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -70.16 -11.63 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 64.53 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 39' ' ' VAL . 85.3 t -96.07 -24.29 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.25 111.109 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.05 -10.51 29.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 75.24 112.516 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD23 ' HD3' ' A' ' 48' ' ' ARG . 11.9 mt -91.32 -4.03 56.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 60.42 110.921 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.686 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.34 -25.12 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.165 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.648 ' HA ' HD23 ' A' ' 50' ' ' LEU . 3.1 pp -87.2 -42.85 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.748 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.2 ptm180 -64.42 -16.2 61.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.15 110.912 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -33.1 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.03 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.648 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -80.72 -26.21 37.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.906 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' A' ' 76' ' ' LEU . 19.1 mt -59.92 -30.32 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.116 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.91 -2.21 76.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 72.41 112.481 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -31.36 16.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 70.24 110.845 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG12 HG21 ' A' ' 69' ' ' ILE . 11.6 t -87.31 -25.4 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.161 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.98 -28.11 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.835 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.5 -27.21 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.861 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.16 -12.86 42.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.953 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 61' ' ' LEU . 1.5 mt -51.37 -58.86 9.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 74.03 110.945 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.8 -6.22 18.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 72.42 112.344 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -104.74 21.06 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.848 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -129.55 160.35 64.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 62.23 110.923 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 75.45 112.316 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -107.77 53.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.91 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -144.94 -42.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -87.64 -19.03 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 54.31 110.863 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.544 ' N ' HD11 ' A' ' 61' ' ' LEU . 7.2 tmm_? -53.21 -38.29 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 54.23 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -20.49 33.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.141 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 123' ' ' ALA . 1.3 tm-20 -85.81 -48.62 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.404 HG21 HG12 ' A' ' 54' ' ' VAL . 8.6 mt -69.58 -56.76 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 45.45 111.157 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -15.53 58.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.901 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.445 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -99.26 -20.87 16.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 63.04 112.521 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.691 HG21 ' HB2' ' A' ' 120' ' ' LEU . 55.1 m -96.0 -42.59 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 74.24 111.128 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.99 -16.54 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 61.43 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -37.75 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -83.06 -16.7 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.959 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.497 ' HB3' HD11 ' A' ' 51' ' ' ILE . 3.2 tp -59.51 -22.98 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.4 110.913 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -95.31 4.48 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 61.14 110.933 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -107.27 -23.27 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -66.62 -20.21 65.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.789 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.7 -15.47 14.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 55.13 110.879 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.553 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -61.05 -33.66 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 71.21 111.136 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -89.47 -26.06 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.7 tp -72.03 -49.86 33.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 62.01 110.935 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.516 HG12 HG11 ' A' ' 40' ' ' VAL . 17.3 mt -65.85 -47.79 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 23.23 111.123 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.61 -25.48 53.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.898 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.43 -22.77 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.914 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.7 tpp -71.07 -55.1 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 70.3 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.16 -15.0 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.9 tp -98.09 -25.54 14.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.923 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.6 -52.04 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 75.2 111.106 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.65 -18.93 65.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 94' ' ' ALA . 1.3 tm0? -52.72 155.27 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.915 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -73.99 75.86 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.869 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' HB2' ' NE2' ' A' ' 92' ' ' GLN . . . -109.02 129.11 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 30.44 111.116 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.4 t -105.42 75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.119 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.5 t -156.82 156.56 33.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 71.21 111.192 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.38 -31.27 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.05 110.832 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.39 -25.49 49.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 62.44 110.922 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.6 t -53.93 -28.18 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 40.21 110.852 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -81.83 -40.83 21.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 65.03 110.851 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -68.95 -27.73 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.906 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 -4.46 44.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 65.35 111.101 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.83 -33.09 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 63.41 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -86.48 -24.23 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.878 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -73.2 -46.49 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 83' ' ' LEU . 4.0 ptp -51.91 -39.42 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.897 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.45 -35.22 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 62.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -21.18 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.105 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.17 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 74.33 111.102 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.708 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -58.85 -56.71 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 52.33 110.854 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 115' ' ' VAL . 9.6 t60 -52.01 -30.61 26.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.863 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.613 HG22 ' OD2' ' A' ' 116' ' ' ASP . 1.6 m -53.51 -41.0 65.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.789 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -59.8 -25.78 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.945 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -92.3 -45.12 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.42 111.091 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 111' ' ' HIS . 22.9 t -57.16 -34.12 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 61.23 111.123 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.613 ' OD2' HG22 ' A' ' 112' ' ' THR . 43.4 m-20 -85.94 -4.73 59.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.929 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -96.62 -34.89 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.106 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.739 ' HA ' HD23 ' A' ' 121' ' ' LEU . 2.1 mptp? -58.15 -34.48 70.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 2.9 m-20 -82.42 -18.27 42.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.871 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.691 ' HB2' HG21 ' A' ' 72' ' ' THR . 2.8 tm? -83.28 -34.69 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.929 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.739 HD23 ' HA ' ' A' ' 118' ' ' LYS . 1.2 pp -65.36 -30.06 70.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.917 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -95.6 -26.05 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.886 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 68' ' ' GLU . . . -59.31 -52.87 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.098 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.692 HG21 HG11 ' A' ' 10' ' ' VAL . 19.0 t -65.16 -32.78 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.106 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 129' ' ' VAL . 3.4 m-20 -56.2 -25.64 47.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 65.25 110.851 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.703 ' O ' HD23 ' A' ' 130' ' ' LEU . 9.7 mt-30 -92.42 -21.55 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.886 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.43 -37.6 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.32 111.086 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.8 -45.23 71.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 125' ' ' ASP . 88.4 t -63.74 -32.08 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.21 111.093 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 126' ' ' GLN . 2.7 mm? -70.69 -27.03 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.67 -31.6 66.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 53.23 111.089 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -84.15 -51.19 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.871 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.6 mt -54.88 -27.13 40.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.98 155.84 20.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 71.25 111.065 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 77.7 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.885 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.806 0.336 . . . . 71.45 111.069 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -118.56 88.16 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 72.04 110.895 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -131.57 50.6 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.9 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -99.81 44.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.895 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -111.93 88.88 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.879 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -98.46 68.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.52 111.19 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.36 40.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.75 77.12 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 54.34 110.82 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.34 -29.65 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.936 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 54' ' ' VAL . 93.4 t -56.43 -25.85 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.112 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.15 -21.82 18.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.908 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 11' ' ' TYR . 1.9 mm? -71.93 -20.09 61.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.932 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -98.84 -46.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.876 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.728 HG22 ' HB1' ' A' ' 117' ' ' ALA . 5.7 p -53.11 -27.72 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.107 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -45.16 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.09 -22.93 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.873 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' VAL . 16.1 tp -79.35 -56.31 4.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.729 HG13 ' HB1' ' A' ' 114' ' ' ALA . 21.2 t -65.49 -21.57 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.103 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -88.59 -21.28 24.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.43 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 65.2 111.114 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.721 HG11 ' HB2' ' A' ' 114' ' ' ALA . 10.5 p -93.21 -14.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 71.21 111.119 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.4 tp -85.29 -25.96 26.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.44 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.42 -27.35 60.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.7 pp -86.58 -1.71 57.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 43.32 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 107' ' ' LEU . 9.0 mtpm? -90.8 -11.85 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.86 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -111.88 -24.17 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.87 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.45 12.96 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 61.24 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -67.22 -38.3 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 61.12 110.927 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -105.53 39.57 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.98 11.25 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.797 HD11 ' CE1' ' A' ' 36' ' ' TYR . 2.2 pp -179.66 156.33 0.79 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.706 . . . . 72.54 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.4 21.75 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.258 . . . . 74.21 112.32 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -8.0 22.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 64.32 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.68 -22.68 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 52.13 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.39 3.04 57.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 54.21 112.496 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.797 ' CE1' HD11 ' A' ' 31' ' ' LEU . 1.5 m-85 -108.6 -26.35 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 73.5 110.921 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.24 -26.74 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 73.5 111.167 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 t -93.15 -20.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 70.25 111.128 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 43' ' ' VAL . 63.5 t -75.07 -37.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG11 HG12 ' A' ' 84' ' ' ILE . 21.9 t -56.82 -23.85 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 65.3 111.117 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.21 -54.06 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 44.34 110.851 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.82 -23.31 61.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 64.52 110.903 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 39' ' ' VAL . 87.0 t -81.17 -24.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.078 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.32 -13.49 24.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.34 112.52 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.8 HD23 ' HD3' ' A' ' 48' ' ' ARG . 7.6 mt -83.37 -10.84 58.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 71.33 110.873 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -52.39 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.51 111.163 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 pp -56.83 -49.17 76.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.943 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.8 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.5 ptm180 -64.98 -14.41 60.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.88 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -91.17 -28.28 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.851 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD11 HE22 ' A' ' 73' ' ' GLN . 1.2 pp -91.94 -31.78 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.91 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.592 HD11 HD23 ' A' ' 76' ' ' LEU . 18.7 mt -57.02 -26.55 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.129 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.54 -1.82 78.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 70.33 112.528 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.4 -33.73 8.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 71.13 110.838 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.679 HG12 HG21 ' A' ' 69' ' ' ILE . 10.5 t -88.43 -29.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 73.33 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.71 -38.1 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -27.05 63.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.866 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.7 mt -98.13 16.58 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 55.21 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.2 mt -51.61 -58.98 8.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 64.33 110.953 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 74.32 112.373 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 t -84.0 -6.48 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.02 110.857 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' CB ' ' HB1' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -126.84 159.99 61.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 73.33 110.881 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.9 Cg_endo -69.74 159.36 53.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.262 . . . . 65.25 112.342 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -57.78 -23.32 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.834 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 t -50.8 -38.49 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.841 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.651 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 49.7 m -112.24 -27.67 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 71.43 110.87 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 69' ' ' ILE . 15.6 ttt180 -51.06 -57.6 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -57.68 -21.7 41.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 111.125 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -84.03 -35.88 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.14 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.679 HG21 HG12 ' A' ' 54' ' ' VAL . 6.8 mt -70.93 -48.95 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.143 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -56.47 -29.62 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.849 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.11 -37.77 6.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 55.41 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.719 HG21 HD23 ' A' ' 120' ' ' LEU . 65.2 m -70.16 -52.32 24.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.731 0.301 . . . . 73.53 111.176 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.474 HE22 HD11 ' A' ' 50' ' ' LEU . 3.7 mm100 -63.23 -22.51 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.68 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 52.12 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.56 -15.49 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.592 HD23 HD11 ' A' ' 51' ' ' ILE . 1.9 tp -59.0 -25.45 63.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.53 4.85 53.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -111.19 -21.59 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.942 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.0 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.872 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.795 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.89 -20.36 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -58.03 -29.91 65.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.22 111.106 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -90.91 -31.82 16.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.871 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.5 tp -65.75 -51.42 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.925 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.484 HG12 HG11 ' A' ' 40' ' ' VAL . 33.5 mt -60.13 -40.77 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 43.42 111.149 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.16 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.925 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -75.83 -19.78 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.913 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 26.5 tpp -75.39 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.886 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -21.78 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp -94.64 -28.5 15.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 63.52 110.95 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -53.48 -42.84 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 52.22 111.086 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -108.5 28.78 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.58 167.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.922 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.96 -35.16 66.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.56 109.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 55.14 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.3 56.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 71.25 111.102 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.718 HG23 ' H ' ' A' ' 98' ' ' LEU . 14.7 t -93.43 172.83 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.107 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -96.75 29.0 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.876 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.718 ' H ' HG23 ' A' ' 96' ' ' THR . 1.9 tt -115.7 -23.76 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 55.33 110.946 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.1 -40.2 60.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.21 -40.86 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 62.13 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.53 -34.57 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 64.22 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.85 -24.98 64.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 72.54 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.414 ' HG3' HD11 ' A' ' 28' ' ' LEU . 10.9 tptt -57.2 -61.87 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.859 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -65.17 -28.68 69.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.41 -28.14 63.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.5 ttp -67.23 -55.11 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.4 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.9 tt -57.11 -24.58 55.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.889 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -68.0 -22.6 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 60.44 111.103 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -90.83 -36.65 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 61.14 111.077 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.682 ' CB ' HD11 ' A' ' 24' ' ' LEU . 98.1 p -56.48 -53.87 52.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 73.11 110.846 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -56.1 -25.05 44.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.1 m -62.54 -17.81 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 62.51 111.137 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.5 mp -83.27 -25.86 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 64.44 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.729 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.29 -36.41 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.23 111.105 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.56 -29.24 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.45 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -85.87 -32.91 21.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 60.24 110.889 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -58.15 -28.15 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.086 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.86 -48.14 26.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.77 -24.44 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 64.01 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.719 HD23 HG21 ' A' ' 72' ' ' THR . 2.8 tm? -84.24 -44.19 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 121' ' ' LEU . 13.3 tp -54.02 -26.97 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.939 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -88.18 -26.5 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.51 110.877 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.64 -50.04 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 120' ' ' LEU . 15.5 m -69.34 -31.61 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 63.14 111.109 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 129' ' ' VAL . 20.4 t70 -56.5 -43.88 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.871 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -75.08 -27.7 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.31 110.924 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 65' ' ' SER . . . -74.17 -38.81 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 71.43 111.066 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -64.38 -24.87 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 125' ' ' ASP . 83.3 t -82.6 -39.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.54 111.128 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.8 mt -78.62 -24.96 45.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 60.04 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.05 -54.39 47.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.08 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -62.99 -57.11 11.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 64.21 110.868 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.5 mt -53.05 -29.22 28.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.908 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 62.35 73.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 72.44 111.092 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.887 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.817 0.341 . . . . 32.34 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.55 58.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 64.42 110.85 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.52 64.35 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.71 110.64 22.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.855 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -101.57 102.88 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.883 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 8' ' ' ASP . 14.6 t -175.47 173.84 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 62.55 111.173 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.86 34.69 1.84 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.31 110.863 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.657 ' H ' HG23 ' A' ' 6' ' ' THR . 2.3 p30 -53.73 101.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.0 pp -134.26 6.83 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.926 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.963 HG21 HG21 ' A' ' 124' ' ' VAL . 5.9 m -93.32 -16.79 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 50.3 111.127 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.501 ' HB2' HD12 ' A' ' 121' ' ' LEU . 8.3 p90 -95.01 -15.7 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.957 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -79.48 -25.02 41.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 75.55 110.951 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -91.66 -43.61 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.904 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.814 HG22 ' HB1' ' A' ' 117' ' ' ALA . 8.4 p -54.66 -28.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.42 111.139 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.3 tpp -72.26 -42.97 65.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.872 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 62.04 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 47' ' ' LEU . 4.4 tt -64.78 -54.38 32.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 114' ' ' ALA . 47.1 t -49.53 -51.31 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 52.03 111.131 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -66.32 -24.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.55 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.22 -29.15 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 45.53 111.084 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 110' ' ' SER . 7.2 p -93.24 -18.2 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 50.04 111.123 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -20.01 58.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 60.12 110.887 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.23 -25.68 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.929 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.1 pp -93.06 -1.04 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.881 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 107' ' ' LEU . 8.4 mtpm? -91.18 -49.52 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 65.05 110.842 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -75.84 -25.46 56.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 65.41 110.882 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -86.97 0.35 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 62.04 110.927 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 63.12 110.947 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -98.89 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.869 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -138.72 -74.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.52 159.19 64.7 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.644 0.735 . . . . 61.3 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.53 21.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 72.23 112.339 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.59 23.98 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 71.21 112.373 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -89.83 -11.59 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 62.32 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.28 -10.57 54.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 33.11 112.502 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.97 -33.62 22.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 73.13 110.892 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 p -50.7 -39.37 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 71.04 111.12 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.61 -33.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 43' ' ' VAL . 37.1 t -70.07 -35.13 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 64.41 111.125 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.576 HG11 HG12 ' A' ' 84' ' ' ILE . 66.3 t -54.08 -25.06 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 63.41 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -57.94 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 70.14 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -71.51 -10.43 59.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 62.02 110.892 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 HD22 ' A' ' 113' ' ' LEU . 89.2 t -96.02 -23.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.21 111.126 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.83 -21.27 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 61.12 112.455 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.817 HD23 ' HD2' ' A' ' 48' ' ' ARG . 19.3 mt -82.01 -1.45 48.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 73.14 110.896 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.498 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -85.69 -49.21 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 61.32 111.135 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.745 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 pp -62.5 -50.53 71.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.903 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.817 ' HD2' HD23 ' A' ' 45' ' ' LEU . 7.1 ptp85 -64.81 -14.62 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.846 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -91.28 -26.65 18.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.897 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -93.59 -29.24 15.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.889 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 48' ' ' ARG . 19.2 mt -56.22 -28.8 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.116 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.27 -8.13 83.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 61.42 112.512 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.504 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -99.38 -27.18 13.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 72.31 110.849 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.585 HG12 HG21 ' A' ' 69' ' ' ILE . 3.1 t -92.62 -24.46 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.4 111.16 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -73.95 -35.77 64.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.878 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -76.18 -7.29 54.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.856 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.5 6.67 17.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.945 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.539 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -54.13 -57.79 16.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 34.42 110.936 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.76 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 54.41 112.362 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -92.53 -2.46 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 63.3 110.836 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.618 HD13 ' OG ' ' A' ' 65' ' ' SER . 0.4 OUTLIER -127.27 160.23 61.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 73.44 110.885 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 172.0 13.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 71.34 112.297 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.34 -31.07 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.856 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.2 t -51.55 -30.6 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 73.52 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.618 ' OG ' HD13 ' A' ' 61' ' ' LEU . 10.4 p -111.62 -29.93 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.898 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.5 ttp85 -51.34 -53.25 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.904 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -59.29 -28.6 66.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 53.42 111.158 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -73.75 -60.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 53.23 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.585 HG21 HG12 ' A' ' 54' ' ' VAL . 3.4 mt -50.9 -54.36 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.02 111.128 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -21.56 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.886 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.49 -15.66 46.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.51 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 ' HG ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -96.54 -44.12 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 73.15 111.157 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.673 ' OE1' HD11 ' A' ' 120' ' ' LEU . 4.6 mm100 -64.76 -15.05 61.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 53.5 110.954 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -41.33 12.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 76' ' ' LEU . 4.4 pp -79.26 -19.54 50.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.939 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 75' ' ' LEU . 2.5 tp -58.75 -28.55 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.05 110.883 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -90.05 4.38 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.882 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -108.7 -19.6 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.26 -17.64 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 60.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.779 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.21 -18.9 13.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 43.42 110.964 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.508 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.89 -35.85 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 65.51 111.105 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -86.38 -32.28 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.747 HD22 ' HA ' ' A' ' 110' ' ' SER . 10.4 tp -64.21 -52.44 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.576 HG12 HG11 ' A' ' 40' ' ' VAL . 18.1 mt -62.21 -51.5 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 31.31 111.162 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.42 -27.29 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.926 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -88.45 -21.6 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.876 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 28.1 mmm -68.96 -66.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 70.44 110.917 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -23.49 30.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.9 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.6 tp -87.91 -24.4 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 63.41 110.893 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.21 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 55.32 111.111 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -18.75 65.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 50.32 110.875 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -51.69 143.02 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.946 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -75.39 72.89 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.0 139.36 30.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 64.14 111.097 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.75 45.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 62.25 111.108 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 98' ' ' LEU . 11.0 t -126.3 25.19 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.51 111.161 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 58.09 43.86 20.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.849 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 96' ' ' THR . 23.3 mt -125.59 25.78 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 61.31 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.8 t -88.95 -31.34 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -84.77 -33.82 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 70.23 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.75 -42.04 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 64.11 110.886 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.28 -26.09 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 70.44 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' HG3' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.36 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.34 110.916 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -57.74 -39.1 76.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.891 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -67.39 -25.26 65.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.916 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.7 ttm -68.29 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.879 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.1 tt -59.94 -27.36 66.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 52.42 110.92 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.4 m -67.17 -24.64 65.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 70.04 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.21 -40.55 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 63.05 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.747 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.2 m -57.9 -53.46 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.864 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.55 -27.04 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.489 ' HA ' HG12 ' A' ' 115' ' ' VAL . 3.1 m -58.25 -29.44 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.25 111.104 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.805 HD22 HG12 ' A' ' 43' ' ' VAL . 6.1 mp -71.74 -23.9 61.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.938 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -94.41 -44.39 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 63.21 111.096 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 112' ' ' THR . 4.2 p -57.84 -26.67 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.123 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CG ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -91.07 -9.19 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.876 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.814 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -90.26 -18.63 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 74.25 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -76.22 -59.43 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.934 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -51.72 -29.69 19.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.673 HD11 ' OE1' ' A' ' 73' ' ' GLN . 1.2 tt -71.22 -41.61 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.92 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 11' ' ' TYR . 2.4 tp -52.82 -30.86 35.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.933 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.23 -27.43 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.86 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.38 -57.28 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.51 111.074 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.963 HG21 HG21 ' A' ' 10' ' ' VAL . 8.9 p -67.13 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 64.44 111.111 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -51.68 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 72.52 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.18 -39.33 78.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.3 -35.51 65.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.21 111.102 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -24.34 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 54.32 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.97 -27.79 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.125 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.86 -25.27 28.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.939 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.79 -36.98 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 61.05 111.085 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -54.6 -28.52 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.06 -28.82 69.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 62.41 110.922 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.92 92.63 8.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.2 111.11 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 24.7 t60 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 72.33 110.867 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.787 0.327 . . . . 75.24 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -113.58 36.67 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 61.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 3' ' ' LEU . 1.0 OUTLIER -96.49 83.62 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.942 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t0 54.52 44.47 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.902 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -87.44 86.94 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 64.23 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -149.75 156.44 41.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 52.23 111.143 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.95 30.41 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 50.24 110.857 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -98.88 81.34 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 72.5 110.873 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.33 25.05 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.878 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.568 HG21 HG21 ' A' ' 124' ' ' VAL . 44.5 t -92.22 -19.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 53.44 111.139 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.1 -33.93 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.52 110.911 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.2 -29.13 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.907 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -96.72 -55.43 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 52.03 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.968 HG13 ' HB1' ' A' ' 117' ' ' ALA . 24.6 t -50.82 -30.84 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 70.24 111.155 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.6 ttp -60.69 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 54.24 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.68 -30.98 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.8 tp -67.56 -45.58 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.955 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.748 HG13 ' HB1' ' A' ' 114' ' ' ALA . 60.5 t -64.94 -21.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 62.25 111.142 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.78 -52.65 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.908 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.36 64.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.51 111.112 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.538 HG23 HG11 ' A' ' 43' ' ' VAL . 8.9 p -83.15 -10.89 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.161 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.36 -26.51 21.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.908 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -71.2 -43.05 68.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 54.41 110.929 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.763 HD23 HG21 ' A' ' 43' ' ' VAL . 4.6 pp -61.83 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.906 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' N ' HD12 ' A' ' 24' ' ' LEU . 28.4 mtpp -60.33 -20.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.902 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -101.18 -16.51 17.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.837 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -89.64 9.97 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -69.38 -38.28 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 64.42 110.898 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.7 t -116.06 28.16 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.837 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.34 -40.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.51 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -115.41 159.21 39.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 72.51 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.68 23.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 71.51 112.386 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.67 20.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.276 . . . . 73.43 112.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.745 ' O ' HG12 ' A' ' 37' ' ' VAL . 19.9 tt0 -52.73 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 52.23 110.876 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.64 -30.67 14.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 32.22 112.483 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.747 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -55.3 -45.89 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 71.24 110.965 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 34' ' ' GLU . 3.9 p -59.66 -18.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.083 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.62 -22.47 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 61.55 111.186 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 43' ' ' VAL . 46.6 t -89.08 -40.92 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 61.21 111.154 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 36' ' ' TYR . 22.0 t -56.37 -24.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 61.42 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.03 -55.85 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 64.34 110.889 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -21.81 65.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 64.54 110.923 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.763 HG21 HD23 ' A' ' 24' ' ' LEU . 91.6 t -79.94 -26.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 64.5 111.124 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -9.24 32.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 71.41 112.475 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' HD2' ' A' ' 48' ' ' ARG . 1.1 mt -86.11 -8.84 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 73.42 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.53 -47.1 14.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 65.25 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 pp -61.13 -48.11 83.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.955 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.771 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -67.58 -12.39 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.846 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -94.51 -26.93 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.11 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 50' ' ' LEU . 1.9 pp -95.54 -23.62 17.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 48' ' ' ARG . 9.2 mt -53.95 -31.86 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.139 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.44 -20.79 70.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 62.51 112.505 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.0 p -73.38 -45.77 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 74.42 110.872 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 HD13 ' A' ' 69' ' ' ILE . 2.9 t -82.33 -16.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 72.22 111.12 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.08 -26.04 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 30.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.7 -29.18 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 61.4 110.881 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.39 18.94 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 65.12 110.904 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -50.42 -58.22 10.55 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.596 0.712 . . . . 61.04 110.905 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.82 -6.64 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 73.54 112.348 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -92.03 13.98 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.122 HD22 ' HB1' ' A' ' 127' ' ' ALA . 11.1 mt -103.79 154.62 37.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 71.33 110.927 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.74 179.21 3.84 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 44.33 112.332 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.83 64.24 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.829 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -168.51 -49.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.14 110.858 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -26.64 22.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 73.44 110.856 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -56.89 -45.21 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.23 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -19.29 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 55.43 111.135 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -78.2 -60.23 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 71.11 110.909 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.681 HD12 ' CD1' ' A' ' 61' ' ' LEU . 76.7 mt -63.65 -51.52 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.09 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.01 -24.06 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.914 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 -10.15 47.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 72.45 112.54 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 120' ' ' LEU . 99.6 m -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 62.52 111.111 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.466 ' HB3' HG23 ' A' ' 51' ' ' ILE . 5.2 mm100 -55.12 -27.19 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.943 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -42.25 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.848 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.745 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -77.15 -17.06 58.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 62.12 110.934 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 HD11 ' A' ' 51' ' ' ILE . 1.7 tp -59.58 -25.63 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 63.14 110.935 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -90.24 4.79 49.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 70.24 110.908 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -107.64 -22.78 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 60.52 110.913 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.47 -18.3 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.854 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.769 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -110.19 -17.64 13.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.901 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.09 -27.77 65.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 65.53 111.082 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.99 -31.27 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 74.41 110.896 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 110' ' ' SER . 5.7 tp -67.1 -50.55 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.926 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.8 mt -64.05 -55.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.107 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -52.03 -47.39 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.922 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -65.97 -24.17 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.919 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -68.88 -65.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.874 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -54.45 -27.1 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -78.37 -30.08 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.8 -55.49 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.079 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -57.35 -23.92 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 71.02 110.888 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.92 141.16 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.912 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -69.92 84.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.914 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.69 95.54 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 42.5 111.106 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.32 -24.96 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 62.32 111.136 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -52.58 144.66 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 64.05 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.67 -23.65 52.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.887 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 98' ' ' LEU . 1.8 tt -53.29 -28.29 27.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.932 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -50.63 60.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.886 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -55.24 -41.77 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 74.24 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 61.3 110.88 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.39 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.22 111.072 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -30.09 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 61.53 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -96.32 -25.7 15.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.12 110.832 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.17 -26.24 66.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.516 ' HG3' HD21 ' A' ' 28' ' ' LEU . 6.4 ptm -72.35 -35.33 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.838 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.5 tt -77.64 -21.13 52.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.967 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.8 m -77.09 -20.36 55.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 52.32 111.117 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.0 -26.15 21.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 51.32 111.108 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.765 ' HA ' HD22 ' A' ' 83' ' ' LEU . 94.5 p -61.04 -54.76 40.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 75.24 110.863 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.38 -26.2 39.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.849 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.488 ' HA ' HG12 ' A' ' 115' ' ' VAL . 1.5 m -59.8 -20.89 59.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 63.2 111.153 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.5 mp -80.98 -24.06 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 63.15 110.93 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.748 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.22 -48.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.158 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 112' ' ' THR . 8.8 p -51.37 -29.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 61.4 111.082 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.745 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.25 -44.32 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.891 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.968 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -58.49 -26.46 63.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.114 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.28 -42.73 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 64.04 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.52 -27.66 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.668 ' HB2' HG21 ' A' ' 72' ' ' THR . 3.4 tm? -75.67 -29.83 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.961 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.28 -24.71 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.73 -42.48 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 71.3 110.858 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.98 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 120' ' ' LEU . 7.2 p -89.5 -25.11 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 129' ' ' VAL . 35.3 t70 -54.77 -31.36 58.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 60.33 110.835 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -95.74 -38.53 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 1.122 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 33.41 111.068 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -27.53 69.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.876 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 125' ' ' ASP . 97.2 t -75.31 -41.33 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.117 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 133' ' ' LEU . 36.6 mt -75.66 -29.5 59.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 54.31 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.21 -27.55 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 72.0 111.085 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -117.22 37.3 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.877 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 130' ' ' LEU . 1.4 pp -93.2 -30.07 15.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 70.33 110.932 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.09 173.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 72.43 111.084 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.7 p80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.892 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.319 . . . . 74.33 111.105 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -128.41 141.58 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 60.13 110.901 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.46 32.46 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.915 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -112.37 146.5 38.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 63.51 110.839 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -100.92 104.52 15.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.861 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 8' ' ' ASP . 87.1 m -109.36 141.16 42.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -96.64 31.74 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 64.43 110.845 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.634 ' H ' HG22 ' A' ' 6' ' ' THR . 4.2 p30 -56.89 138.91 53.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.5 pt? -131.34 4.45 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 51.1 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.67 HG21 HG11 ' A' ' 124' ' ' VAL . 16.2 m -93.34 -6.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 63.21 111.143 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -95.07 -8.34 36.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.916 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.52 -49.56 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.902 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -68.02 -22.86 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.612 ' HA ' HD22 ' A' ' 50' ' ' LEU . 9.2 p -80.26 -29.07 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.34 111.144 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.4 ttp -69.7 -30.78 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 75.42 110.845 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 43.44 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.689 HD12 ' HB ' ' A' ' 46' ' ' THR . 5.2 tt -69.32 -52.28 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 64.33 110.901 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 14' ' ' VAL . 35.9 t -52.34 -28.75 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.17 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -36.49 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 70.02 110.842 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.71 -22.5 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 62.55 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' A' ' 43' ' ' VAL . 10.6 p -93.44 -18.84 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 62.25 111.084 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' HD3' ' A' ' 25' ' ' LYS . 5.7 mt -82.88 -30.03 28.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.904 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.72 -31.76 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pp -81.64 -11.9 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.904 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HD3' HD23 ' A' ' 22' ' ' LEU . 23.7 mtpp -76.85 -62.75 1.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 51.52 110.919 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.66 -18.82 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 45.15 110.854 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.41 -18.84 59.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -50.11 -38.76 40.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 54.21 110.902 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -99.37 42.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.22 -74.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 72.12 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.43 159.26 61.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 44.23 110.913 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.39 21.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 72.31 112.343 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 75.44 112.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -95.03 24.08 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 71.43 110.837 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -120.92 -16.84 4.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 65.15 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.757 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.0 m-85 -95.1 -21.05 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 74.54 110.915 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.414 HG13 HG23 ' A' ' 38' ' ' VAL . 8.3 p -51.51 -34.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.41 111.152 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 37' ' ' VAL . 21.2 t -85.23 -23.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 65.14 111.158 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.711 HG12 ' CG2' ' A' ' 43' ' ' VAL . 20.8 t -78.14 -35.67 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.111 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 36' ' ' TYR . 26.4 t -53.35 -27.56 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 64.25 111.143 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.41 -57.54 9.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 61.31 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.45 -37.66 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.903 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.711 ' CG2' HG12 ' A' ' 39' ' ' VAL . 86.4 t -62.82 -26.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 65.12 111.125 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.27 -9.96 30.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 61.31 112.491 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.695 HD23 ' HD2' ' A' ' 48' ' ' ARG . 6.6 mt -89.05 -16.21 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 61.44 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.689 ' HB ' HD12 ' A' ' 17' ' ' LEU . 9.4 m -76.49 -43.89 37.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.153 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 48' ' ' ARG . 2.2 pp -62.44 -48.13 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 52.13 110.88 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.736 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.5 ptp180 -67.49 -12.48 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.4 110.84 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.63 -30.52 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.4 110.859 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.612 HD22 ' HA ' ' A' ' 14' ' ' VAL . 4.0 pp -91.35 -21.12 21.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.905 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.1 mt -55.22 -31.93 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 42.35 111.141 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.13 -14.58 71.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.507 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.69 -38.42 39.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 75.1 110.821 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.566 HG12 HG21 ' A' ' 69' ' ' ILE . 9.2 t -83.92 -25.78 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.67 -24.97 65.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.914 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.8 -17.06 61.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.563 HD11 HG13 ' A' ' 54' ' ' VAL . 3.3 pp -116.89 -13.14 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.895 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 tp -48.99 -57.96 9.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 62.11 110.899 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.77 -8.26 23.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.716 2.277 . . . . 70.12 112.356 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.3 t -101.68 18.55 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 63.51 110.826 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' A' ' 127' ' ' ALA . 2.5 mp -105.38 160.6 25.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 73.32 110.91 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 75.31 112.307 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.4 p -77.07 67.48 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 t -168.69 -53.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.893 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -96.01 22.53 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 62.44 110.851 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -89.15 -43.74 10.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.855 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -64.57 -23.26 67.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.131 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.02 -59.33 4.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.639 HD12 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -65.77 -46.78 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 64.42 111.173 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -52.58 -35.56 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.865 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.59 -37.84 7.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.471 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.664 ' CB ' HD23 ' A' ' 120' ' ' LEU . 97.5 m -61.59 -52.51 64.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 70.43 111.135 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.37 -21.52 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -48.5 11.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.52 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.683 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -72.74 -13.83 61.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.894 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 51' ' ' ILE . 1.5 tp -62.62 -16.35 56.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.929 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -101.14 5.95 42.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -106.32 -33.47 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.951 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.86 -27.37 29.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.02 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.823 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -101.44 -14.69 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 55.32 110.962 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.559 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.06 -32.79 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 64.04 111.078 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.96 -30.76 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.6 tp -65.82 -49.86 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 71.34 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.55 HG12 HG11 ' A' ' 40' ' ' VAL . 25.6 mt -60.61 -49.72 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.11 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.09 -35.74 75.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 62.13 110.912 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -72.09 -25.44 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.21 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.2 tpp -72.66 -56.39 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 54.41 110.83 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -60.46 -19.12 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.42 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -97.78 -22.27 16.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.928 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.52 -58.33 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.09 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -82.6 1.25 39.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.925 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -51.61 161.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.22 110.922 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.25 84.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 62.54 110.908 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -117.15 -40.82 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.089 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t 52.27 70.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.178 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.3 m -160.94 149.42 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 73.41 111.149 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -58.79 -27.04 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 62.15 110.875 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.1 tp -55.83 -26.79 48.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 64.31 110.897 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.1 t -53.82 -28.02 32.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 61.3 110.865 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.87 -33.29 49.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.88 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.26 -48.29 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 62.42 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.01 46.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 55.22 111.125 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -69.72 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 70.11 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -56.96 -41.61 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 61.2 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -58.62 -31.71 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ttp -63.0 -50.46 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.848 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.411 HD12 ' HG2' ' A' ' 25' ' ' LYS . 12.2 tp -57.98 -27.02 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.51 110.94 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 m -76.51 -11.82 59.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 74.13 111.12 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.32 -43.19 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.32 111.031 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.716 ' HA ' HD22 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -56.78 -52.98 62.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 62.34 110.858 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.762 ' O ' HG13 ' A' ' 115' ' ' VAL . 5.0 t-160 -56.2 -25.83 48.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.4 110.837 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.7 m -60.9 -17.3 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 65.33 111.131 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.1 mp -83.92 -24.28 30.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.909 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.503 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.34 -37.33 10.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 34.53 111.106 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.762 HG13 ' O ' ' A' ' 111' ' ' HIS . 17.9 m -50.7 -29.9 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 70.1 111.102 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.683 ' CG ' HD11 ' A' ' 75' ' ' LEU . 5.0 t0 -80.07 -44.74 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.879 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.584 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -51.36 -34.81 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 72.14 111.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -68.16 -36.66 80.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 64.2 110.866 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -78.87 -23.65 44.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.894 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.664 HD23 ' CB ' ' A' ' 72' ' ' THR . 2.5 tm? -83.36 -39.27 20.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 53.24 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 122' ' ' ASP . 2.0 tm? -55.56 -62.46 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.891 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.5 ' N ' HD13 ' A' ' 121' ' ' LEU . 26.7 t0 -55.98 -25.29 43.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.847 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 120' ' ' LEU . . . -70.05 -39.72 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.24 111.051 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 10' ' ' VAL . 93.0 t -81.55 -25.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 65.2 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -59.55 -53.61 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 24.14 110.863 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -76.55 -33.07 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.938 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -64.6 -43.77 92.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 65.43 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -24.44 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 65.01 110.898 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.37 -40.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 62.41 111.075 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 62.32 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.05 -39.99 69.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 53.2 111.108 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -61.08 -35.74 77.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 65.53 110.86 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.9 -28.27 69.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 70.54 110.874 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.68 168.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 61.33 111.131 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 13.7 t60 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.865 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.785 0.326 . . . . 54.23 111.113 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -91.45 141.36 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.872 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.61 28.9 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 73.1 110.936 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -118.7 80.78 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 54.14 110.843 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -105.79 26.79 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 64.45 110.89 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -110.8 176.5 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.148 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -105.52 21.29 17.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 64.53 110.863 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.25 130.54 30.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.866 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -144.12 14.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.868 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG21 HG11 ' A' ' 124' ' ' VAL . 60.8 t -93.4 -19.73 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.134 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -94.2 -5.45 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.951 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -96.15 -49.02 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -72.13 -22.56 61.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.868 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.795 HG22 ' HB1' ' A' ' 117' ' ' ALA . 6.6 p -78.38 -26.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 41.31 111.119 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.2 ttp -65.17 -47.82 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 64.54 110.838 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.18 -33.69 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD11 HD23 ' A' ' 47' ' ' LEU . 21.8 tp -68.02 -49.87 58.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.889 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.742 HG13 ' HB1' ' A' ' 114' ' ' ALA . 89.9 t -67.8 -23.68 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.087 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -82.65 -52.6 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.5 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.61 -35.45 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.094 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 110' ' ' SER . 10.4 p -79.41 -34.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.117 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -25.69 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 64.41 110.922 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.64 -54.02 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 54.23 110.874 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 110' ' ' SER . 0.8 OUTLIER -60.19 -21.14 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.924 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -58.13 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.912 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.18 -16.95 60.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 75.05 110.885 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.703 ' HB3' HD12 ' A' ' 31' ' ' LEU . 84.1 mt-10 -88.23 7.94 29.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -64.57 -33.79 76.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 62.23 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -121.77 26.08 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 35.21 110.856 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -134.73 6.5 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 60.51 110.868 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 27' ' ' GLU . 96.6 mt -154.78 155.11 30.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.619 0.723 . . . . 45.1 110.921 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.76 20.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 51.11 112.344 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 53.9 Cg_endo -69.73 -12.21 32.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.686 2.257 . . . . 72.34 112.388 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 37' ' ' VAL . 41.6 tp10 -85.26 -17.21 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.875 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -86.47 -11.13 72.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 64.41 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.8 m-85 -85.64 -38.06 18.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 73.53 110.917 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 34' ' ' GLU . 11.4 p -61.59 -25.99 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 34.14 111.106 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 m -87.49 -23.28 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 70.34 111.116 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 43' ' ' VAL . 92.4 t -86.15 -42.96 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 60.25 111.134 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 36' ' ' TYR . 86.8 t -50.12 -29.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.138 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -51.99 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.903 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -78.42 -3.68 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 39' ' ' VAL . 88.2 t -95.71 -27.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 54.32 111.163 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.62 -15.77 16.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 34.41 112.46 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD23 ' HD3' ' A' ' 48' ' ' ARG . 39.6 mt -84.56 -8.38 58.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.891 0.376 . . . . 74.23 110.908 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -82.14 -47.67 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 65.2 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.699 ' CD2' HD23 ' A' ' 113' ' ' LEU . 1.7 pp -62.33 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.89 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HD3' HD23 ' A' ' 45' ' ' LEU . 9.9 ptm180 -67.09 -11.98 58.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.87 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -95.64 -34.22 12.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.959 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD22 ' HA ' ' A' ' 14' ' ' VAL . 4.0 pp -86.58 -26.95 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.94 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 76' ' ' LEU . 10.7 mt -54.73 -31.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 63.31 111.088 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.78 66.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 63.23 112.472 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 p -81.37 -38.19 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 73.25 110.86 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.682 HG12 HG21 ' A' ' 69' ' ' ILE . 12.3 t -88.11 -46.52 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.167 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' HA ' HD23 ' A' ' 58' ' ' LEU . 8.2 t70 -55.74 -30.56 61.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 63.32 110.849 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.73 -23.68 53.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.829 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.04 12.45 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.908 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.76 -58.81 8.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.6 0.714 . . . . 73.03 110.881 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -7.36 20.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 71.45 112.35 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 m -87.86 -4.89 58.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.862 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -131.28 159.89 69.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 74.32 110.899 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.78 162.84 40.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 52.45 112.35 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p -57.43 -24.57 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 54.32 110.889 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -56.81 -25.33 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.54 110.858 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.424 ' HB2' HD13 ' A' ' 61' ' ' LEU . 45.8 m -112.26 -19.67 12.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.873 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.438 HH21 HG23 ' A' ' 67' ' ' THR . 3.2 ttp180 -51.91 -65.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.438 HG23 HH21 ' A' ' 66' ' ' ARG . 1.9 m -55.7 -24.04 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.41 111.136 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.42 -56.65 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.89 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.682 HG21 HG12 ' A' ' 54' ' ' VAL . 5.3 mt -65.25 -52.69 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.42 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -29.94 23.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.898 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.32 -34.35 8.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 43.04 112.485 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.794 HG21 HD23 ' A' ' 120' ' ' LEU . 90.7 m -70.65 -55.68 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 74.11 111.154 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HB3' HG23 ' A' ' 51' ' ' ILE . 5.3 mm100 -59.96 -20.53 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.924 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -46.99 29.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.704 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER -74.48 -7.04 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.933 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.4 tp -70.86 -14.22 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 61.04 110.894 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -102.17 3.41 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.895 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.44 -16.69 12.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 52.33 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.516 ' CG ' HG22 ' A' ' 112' ' ' THR . 93.8 m-20 -74.1 -13.03 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.847 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.774 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -110.03 -21.04 12.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.882 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.54 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -51.71 -44.32 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 43.1 111.131 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -77.82 -26.03 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 63.21 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.793 HD22 ' HA ' ' A' ' 110' ' ' SER . 11.8 tp -70.91 -61.75 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 71.5 110.878 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.39 -43.49 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 63.34 111.118 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.68 -57.68 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.938 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -59.69 -20.76 58.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.883 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.452 ' HG2' ' HE1' ' A' ' 106' ' ' MET . 0.0 OUTLIER -68.75 -65.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 62.34 110.861 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.97 -25.48 58.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 54.33 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -87.29 -19.63 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.5 83.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.55 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 33' ' ' PRO . 14.6 pt20 -94.47 20.62 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 44.22 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.64 153.72 31.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 65.41 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.62 77.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.846 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.32 160.43 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 63.31 111.098 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.41 -16.71 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.13 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -92.38 16.23 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 45.2 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t 50.7 47.37 24.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.2 110.858 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.3 tt -76.5 -23.93 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.91 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.1 p -51.94 -30.88 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.44 110.868 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -60.21 -35.21 74.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 51.13 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -86.96 -36.31 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.25 -26.14 67.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.114 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.514 ' O ' HD11 ' A' ' 28' ' ' LEU . 3.7 mtpp -64.14 -37.55 87.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.877 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -86.86 -19.55 28.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.848 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 108' ' ' THR . 32.6 mm-40 -85.67 -17.59 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.858 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.452 ' HE1' ' HG2' ' A' ' 87' ' ' MET . 1.7 ptp -86.75 -22.46 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.53 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.51 -24.08 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.933 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 105' ' ' GLN . 14.5 t -74.32 -18.66 60.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 61.33 111.168 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.61 -39.75 13.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 71.11 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.793 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.6 m -54.86 -45.38 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.888 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -27.14 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.861 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 79' ' ' ASP . 2.4 m -59.91 -22.07 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 61.31 111.131 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.6 mp -80.29 -23.18 40.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.894 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.742 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -42.23 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.11 111.144 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.1 p -50.87 -30.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.35 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.704 ' CG ' HD11 ' A' ' 75' ' ' LEU . 1.6 t70 -84.5 -33.14 23.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.851 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.795 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -68.86 -13.14 62.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 43.21 111.113 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -92.14 -27.22 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.35 110.862 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.32 -20.44 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.89 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.794 HD23 HG21 ' A' ' 72' ' ' THR . 3.4 tm? -80.28 -39.35 29.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.07 -29.9 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.926 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -78.83 -47.44 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.857 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.16 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 55.1 111.127 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 10' ' ' VAL . 95.6 t -77.11 -26.9 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.33 111.155 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 129' ' ' VAL . 15.3 t70 -53.22 -36.86 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 64.4 110.902 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.66 -38.1 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.934 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -53.86 -51.94 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 35.21 111.097 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.4 -24.63 63.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 61.34 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 125' ' ' ASP . 86.0 t -80.81 -40.2 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 55.42 111.134 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.8 mt -74.01 -21.66 59.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 33.22 110.932 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.16 -33.4 26.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 53.24 111.105 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -62.99 -39.56 95.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.3 mt -70.18 -25.91 63.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.878 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -89.0 160.04 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 64.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 51.7 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 63.35 110.873 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.834 0.35 . . . . 64.35 111.124 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -103.38 77.93 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.56 93.64 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 53.43 110.933 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -57.89 102.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 53.34 110.889 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -151.86 143.23 23.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.863 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 p -51.92 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.3 111.146 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.8 t0 55.25 39.92 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.878 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t0 63.51 59.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 73.02 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.682 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.8 pt? -83.1 -9.5 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 62.54 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 124' ' ' VAL . 86.3 t -54.56 -48.39 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.168 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.447 ' HB2' HD13 ' A' ' 121' ' ' LEU . 6.7 p90 -80.96 -1.1 42.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 63.13 110.929 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 9' ' ' LEU . 14.7 mt -95.01 -26.48 16.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 65.3 110.947 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -95.1 -19.07 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.661 HG22 ' HB1' ' A' ' 117' ' ' ALA . 9.1 p -81.53 -26.74 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.128 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.7 ttm -60.01 -57.9 10.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -51.35 -41.32 60.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 55.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.24 -58.67 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 63.25 110.959 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.65 HG13 ' HB1' ' A' ' 114' ' ' ALA . 25.3 t -58.85 -21.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.126 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.94 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.851 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.61 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 62.2 111.101 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' A' ' 114' ' ' ALA . 7.8 p -93.23 -9.09 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 60.33 111.181 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.625 HD23 ' HD3' ' A' ' 25' ' ' LYS . 6.6 mt -89.16 -28.01 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.929 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.91 -27.09 61.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.661 HD11 ' OG ' ' A' ' 110' ' ' SER . 1.6 pp -86.13 -2.77 58.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.5 110.909 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.625 ' HD3' HD23 ' A' ' 22' ' ' LEU . 18.3 mtpt -86.04 -62.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.909 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.85 -24.69 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 61.34 110.904 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -93.83 19.13 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.859 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -74.02 -26.8 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.903 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -110.25 22.12 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.821 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.735 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.8 mp0 -118.62 -16.94 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.905 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 30' ' ' GLN . 0.9 OUTLIER -136.66 157.76 74.44 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 71.23 110.89 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.75 169.28 19.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 75.45 112.327 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.29 30.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 75.24 112.364 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -91.31 14.54 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.938 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.05 -16.2 5.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 41.54 112.485 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.63 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.9 m-85 -91.64 -30.32 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 75.4 110.956 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.15 -37.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 72.14 111.153 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.91 -24.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.03 111.113 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.712 HG12 HG23 ' A' ' 43' ' ' VAL . 47.4 t -79.69 -29.96 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.14 111.16 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.78 HG11 HG12 ' A' ' 84' ' ' ILE . 41.9 t -51.68 -29.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 74.3 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -52.46 17.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.907 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -67.56 -22.58 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.911 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.712 HG23 HG12 ' A' ' 39' ' ' VAL . 84.9 t -87.23 -25.62 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.12 111.135 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.566 ' HA2' HD22 ' A' ' 47' ' ' LEU . . . -106.44 3.67 37.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 70.43 112.478 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD23 ' HD3' ' A' ' 48' ' ' ARG . 7.8 mt -92.01 -22.06 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.368 . . . . 74.2 110.894 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -86.61 -39.19 16.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.52 111.099 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.736 HD13 HD23 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -72.06 -14.05 61.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.03 110.886 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.728 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.3 ptm180 -98.51 -21.02 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 70.13 110.882 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -84.04 -39.24 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.2 pp -65.59 -26.32 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.922 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 48' ' ' ARG . 74.7 mt -58.18 -29.46 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.124 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.53 -8.56 87.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 74.14 112.472 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 p -91.82 -29.62 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 75.03 110.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.619 HG12 HG21 ' A' ' 69' ' ' ILE . 10.0 t -97.18 -28.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 71.11 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.565 ' HA ' HD23 ' A' ' 58' ' ' LEU . 21.0 t70 -70.89 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 51.4 110.891 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -79.24 -25.77 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -0.47 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 41.43 110.902 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -48.71 -58.97 7.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.66 0.743 . . . . 63.1 110.924 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 60.34 112.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.5 m -112.01 32.66 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.795 HD21 ' HB1' ' A' ' 127' ' ' ALA . 10.8 mt -118.24 159.23 44.16 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 73.44 110.937 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.31 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.4 65.16 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -174.85 -70.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 50.24 110.837 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.63 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.846 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -56.28 -25.89 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.827 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.97 -24.3 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.149 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.19 -58.76 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.619 HG21 HG12 ' A' ' 54' ' ' VAL . 58.9 mt -57.45 -51.65 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.119 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.693 ' HB2' HD11 ' A' ' 58' ' ' LEU . 6.5 tm-20 -53.7 -28.22 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 60.4 110.892 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.57 -12.44 53.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 50.23 112.466 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.795 HG21 HD23 ' A' ' 120' ' ' LEU . 53.0 m -92.32 -57.15 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.694 0.283 . . . . 73.23 111.143 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.586 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.5 mm100 -51.38 -32.56 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.893 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.89 79.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.4 OUTLIER -73.01 -13.72 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.916 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 47' ' ' LEU . 1.2 tp -71.08 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.925 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -101.06 4.4 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.52 10.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.923 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -16.47 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.859 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -109.97 -21.04 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.11 110.866 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -60.34 -31.92 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.24 111.094 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -88.56 -32.43 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.3 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.6 tp -64.9 -53.98 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 65.22 110.937 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.78 HG12 HG11 ' A' ' 40' ' ' VAL . 34.7 mt -59.45 -36.41 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 72.4 111.146 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -66.34 -40.56 89.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.947 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 55.54 110.89 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 51.6 mmm -71.02 -64.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 60.32 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -55.76 -24.17 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.857 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -90.57 -21.7 21.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -69.85 -49.15 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 43.5 111.098 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 25.69 4.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.955 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -76.92 158.03 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.927 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.06 82.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -121.49 113.11 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.107 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.22 -26.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.52 111.139 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 t -68.43 163.1 24.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.125 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.3 p -90.94 48.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.919 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.4 tt -95.84 -23.17 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.931 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.4 t -51.91 -30.37 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.835 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -55.3 -48.11 74.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 72.1 110.888 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.69 -34.28 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 64.31 110.86 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.49 -15.17 60.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 61.4 111.124 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.48 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.917 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -33.52 11.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 63.43 110.861 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.34 -31.6 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 54.02 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ttm -61.32 -58.36 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.885 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -55.45 -26.83 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.919 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.3 m -60.83 -25.65 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.1 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.3 -42.2 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.41 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.661 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -55.16 -52.6 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 70.25 110.895 -179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.622 ' O ' HG23 ' A' ' 115' ' ' VAL . 21.8 t-160 -55.62 -31.7 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.83 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.6 m -52.81 -42.98 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 52.32 111.128 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 47' ' ' LEU . 5.5 mp -54.75 -27.26 39.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.782 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.1 -35.09 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.22 111.088 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 111' ' ' HIS . 99.2 t -52.47 -29.45 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.13 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.642 ' CG ' HD11 ' A' ' 75' ' ' LEU . 7.8 t70 -88.34 -28.69 20.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.661 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -53.45 -37.03 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 65.1 111.101 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -79.1 -50.9 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.45 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -56.15 -25.67 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.795 HD23 HG21 ' A' ' 72' ' ' THR . 3.0 tm? -86.0 -37.97 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.95 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 11' ' ' TYR . 16.7 tp -54.86 -27.44 42.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 61.33 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.67 -54.1 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 52.34 110.819 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.64 -45.01 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.114 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.694 HG21 HG11 ' A' ' 10' ' ' VAL . 96.9 t -66.9 -34.51 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.11 111.151 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.54 -29.96 62.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.869 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -93.62 -40.77 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.795 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -62.18 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 65.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -24.61 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 63.42 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 78.0 t -94.25 -28.86 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 52.15 111.105 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.47 -25.53 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 52.1 110.907 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.95 92.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.151 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -59.68 -42.35 92.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.895 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 31.3 mt -64.02 -26.48 68.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.09 146.15 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 22.22 111.12 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.873 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.796 0.332 . . . . 74.32 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -119.61 106.27 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.859 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -113.71 33.18 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.921 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.96 109.57 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 61.22 110.908 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -92.16 70.29 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 71.42 110.914 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.6 m -89.0 -19.12 26.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 62.24 111.138 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t0 58.89 22.32 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.863 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.08 164.95 12.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 61.43 110.858 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -123.88 -3.39 8.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 65.32 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 53' ' ' SER . 12.6 m -92.96 -23.49 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.35 111.091 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.722 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -86.29 -0.1 55.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.05 110.888 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.77 -50.02 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 62.31 110.948 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -68.95 -20.71 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.642 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 9.8 p -79.33 -25.2 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 65.5 111.163 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.6 ttm -60.61 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.618 ' HG3' HG21 ' A' ' 46' ' ' THR . 7.0 pt-20 -52.96 -33.06 49.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.41 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.591 HD13 ' HB ' ' A' ' 46' ' ' THR . 22.5 tp -65.47 -52.89 49.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.938 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' HB1' ' A' ' 114' ' ' ALA . 58.4 t -61.11 -19.12 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 65.52 111.135 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -53.42 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.32 110.828 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.66 38.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.688 HG11 ' HB2' ' A' ' 114' ' ' ALA . 14.2 p -87.67 -21.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 73.34 111.108 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.576 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.4 tt -81.12 -30.14 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.75 -37.63 85.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.873 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 110' ' ' SER . 1.1 pp -68.28 -15.81 63.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.902 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.664 ' HA ' HD13 ' A' ' 107' ' ' LEU . 27.5 mtpt -69.33 -71.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.906 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.55 -21.56 65.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.71 20.81 8.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.861 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.0 tm? -82.0 -24.77 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.2 t -116.41 26.4 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -134.7 11.3 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -151.94 155.93 33.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 73.12 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.78 20.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 70.12 112.309 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.38 3.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 51.33 112.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.28 -20.58 59.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -87.63 -12.02 67.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 70.11 112.499 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.703 ' O ' HG23 ' A' ' 40' ' ' VAL . 22.6 m-85 -90.37 -37.42 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 55.32 110.941 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.49 -26.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 61.34 111.136 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.93 -20.58 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 53.13 111.081 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 35' ' ' GLY . 85.4 t -85.99 -36.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.35 111.141 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 36' ' ' TYR . 36.4 t -52.33 -29.02 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.31 111.132 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -71.4 -46.87 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.932 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.14 -25.4 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.899 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 21' ' ' VAL . 85.3 t -81.92 -24.06 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 71.42 111.136 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.22 -5.54 37.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 53.02 112.476 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD23 ' HD3' ' A' ' 48' ' ' ARG . 3.9 mt -86.59 -14.8 41.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 73.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.618 HG21 ' HG3' ' A' ' 16' ' ' GLU . 1.1 m -85.91 -30.79 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 70.04 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.697 ' CD2' HD23 ' A' ' 113' ' ' LEU . 4.1 pp -81.16 -21.73 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 71.34 110.862 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.795 ' HD3' HD23 ' A' ' 45' ' ' LEU . 11.0 ptm180 -88.19 -16.66 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.833 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' CE ' HG23 ' A' ' 46' ' ' THR . 12.2 pttt -97.53 -31.13 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.55 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -78.33 -25.8 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.929 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.61 -32.01 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 70.21 111.127 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.94 -8.91 62.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 73.53 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.408 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -86.27 -36.98 19.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 71.32 110.895 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.6 HG12 HG21 ' A' ' 69' ' ' ILE . 7.4 t -89.17 -39.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 74.05 111.17 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.887 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.7 -28.1 55.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.861 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.3 9.8 42.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.6 mt -51.23 -59.32 7.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 74.15 110.956 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.73 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 73.43 112.353 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -84.03 -6.37 59.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 62.32 110.844 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.607 ' CB ' ' HB1' ' A' ' 127' ' ' ALA . 0.6 OUTLIER -127.04 159.84 62.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 75.15 110.952 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.83 29.62 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.699 2.266 . . . . 74.35 112.408 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.7 p -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 42.41 110.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -34.6 36.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 54.44 110.836 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.613 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 17.6 m -112.21 -27.45 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 65.24 110.821 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.488 ' HG2' HD22 ' A' ' 58' ' ' LEU . 1.1 ttt180 -54.14 -60.57 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.882 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -52.15 -29.25 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.23 111.127 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -77.12 -44.8 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.901 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 54' ' ' VAL . 5.4 mt -66.86 -48.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 55.22 111.136 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' OE2' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -52.0 -35.52 46.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 55.42 110.917 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.76 -38.93 7.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 52.23 112.485 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.66 HG21 HD23 ' A' ' 120' ' ' LEU . 95.2 m -62.84 -51.59 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 74.31 111.111 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -59.67 -19.53 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 64.21 110.931 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -50.66 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -68.95 -16.54 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.905 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.2 -30.3 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -89.35 4.58 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.911 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -108.71 -21.44 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -68.01 -18.71 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.847 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.805 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.08 -18.78 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.916 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.516 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -57.36 -30.07 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.084 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -91.97 -31.01 15.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.2 tp -65.98 -43.81 86.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 43.33 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.534 HG12 HG11 ' A' ' 40' ' ' VAL . 36.8 mt -70.04 -42.97 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 53.41 111.086 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -57.61 -23.15 49.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 9.4 tppt? -85.68 -22.07 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.898 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -59.77 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 43.41 110.869 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.32 -19.12 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 61.5 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.7 tp -97.29 -13.13 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -80.06 -53.59 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.096 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -99.8 36.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 71.45 110.897 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.471 ' H ' ' NE2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -58.35 -21.31 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.87 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.8 50.54 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.899 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.03 -2.17 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.21 111.087 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.92 76.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.127 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -153.67 156.67 38.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.107 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -69.16 -27.9 65.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.45 110.895 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -53.62 -33.9 56.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 72.41 110.906 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -24.25 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.11 110.85 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -74.48 -36.45 63.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.41 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 62.24 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.7 -22.38 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.13 111.104 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.58 -38.98 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.885 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -87.64 -38.0 16.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -65.73 -16.29 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.914 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.518 ' O ' HD13 ' A' ' 83' ' ' LEU . 10.3 ttm -82.99 -26.69 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.89 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 25' ' ' LYS . 8.1 tp -85.34 -37.41 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 t -63.75 -17.23 62.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.35 111.125 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.19 -33.86 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 64.12 111.06 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.639 ' HB2' HD21 ' A' ' 24' ' ' LEU . 93.6 p -58.36 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 64.05 110.819 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -55.17 -26.16 37.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 74.51 110.848 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -61.79 -18.47 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.183 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -82.73 -25.39 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.941 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.747 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.26 -36.72 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 62.21 111.102 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.95 -28.85 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 53.32 111.144 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.691 ' CG ' HD11 ' A' ' 75' ' ' LEU . 2.1 t0 -84.03 -37.86 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 51.53 110.883 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.642 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -55.92 -39.23 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.23 111.082 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.542 ' HE2' HG11 ' A' ' 18' ' ' VAL . 3.6 mptp? -66.83 -38.38 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 70.41 110.89 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -74.97 -25.37 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 120' ' ' LEU . 3.0 tm? -80.81 -33.17 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.954 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' A' ' 11' ' ' TYR . 5.7 tp -62.88 -52.07 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.917 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.07 -28.53 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.882 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.79 -54.64 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.116 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.19 -35.89 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 70.23 111.062 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.47 -33.34 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -90.74 -24.44 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.613 ' HB2' ' CB ' ' A' ' 65' ' ' SER . . . -70.29 -47.59 60.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 53.14 111.125 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -59.13 -21.62 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.5 t -76.8 -43.37 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 61.23 111.113 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -75.15 -18.9 60.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.43 110.896 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.46 -27.16 58.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 75.14 111.116 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -59.32 -47.39 85.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.922 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.6 pp -53.49 -28.42 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 63.11 110.927 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.47 107.28 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 33.44 111.056 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 11.6 p80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 55.45 110.822 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.779 0.323 . . . . 71.11 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -92.27 101.59 14.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.71 28.11 8.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 74.03 110.881 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.66 152.51 27.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.853 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -147.32 132.5 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 72.05 110.876 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 p -149.35 144.29 26.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 53.22 111.16 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.17 -39.19 63.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.897 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.65 74.17 2.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.848 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.6 tp -59.79 -34.5 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 70.14 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 124' ' ' VAL . 6.1 m -68.44 -12.0 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.119 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.526 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -94.58 -21.36 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 53.34 110.929 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.9 -19.09 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.924 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -100.17 -21.25 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 61.21 110.872 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.801 HG22 ' HB1' ' A' ' 117' ' ' ALA . 4.1 p -85.4 -24.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 62.41 111.127 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.1 ttp -77.25 -22.25 52.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 73.14 110.835 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -74.19 -35.2 63.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.35 110.938 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD23 ' A' ' 47' ' ' LEU . 4.9 tt -73.23 -40.86 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.921 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.815 HG13 ' HB1' ' A' ' 114' ' ' ALA . 38.5 t -60.43 -18.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.43 111.147 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -88.03 -56.4 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.0 -23.76 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.125 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.739 HG11 ' HB2' ' A' ' 114' ' ' ALA . 8.8 p -87.81 -14.48 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 71.12 111.109 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.5 tt -87.65 -29.42 21.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 61.15 110.932 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -23.77 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.886 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.763 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.5 pp -88.33 -2.75 58.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.941 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.618 ' HA ' HD13 ' A' ' 107' ' ' LEU . 34.5 mtpt -81.7 -55.21 4.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.903 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -77.33 -22.28 52.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -81.51 -0.55 42.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 65.42 110.863 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -51.82 -42.11 62.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.95 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -106.01 46.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -48.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.949 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.36 158.92 43.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 63.42 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.19 22.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 74.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -30.68 22.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 73.52 112.363 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' O ' HG12 ' A' ' 37' ' ' VAL . 13.9 pt-20 -53.66 -36.99 62.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.9 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.619 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -85.97 -9.16 77.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 63.51 112.528 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.739 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.4 m-85 -85.16 -38.32 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.412 . . . . 72.43 110.912 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.1 p -59.92 -31.08 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 63.54 111.15 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.6 m -81.46 -19.15 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 53.45 111.108 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 35' ' ' GLY . 99.1 t -91.08 -34.8 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.51 111.114 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 36' ' ' TYR . 99.3 t -51.53 -29.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 63.24 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -42.89 71.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 60.2 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -69.48 -27.11 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 63.35 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.594 HG11 HG23 ' A' ' 21' ' ' VAL . 67.8 t -85.57 -20.54 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.24 111.105 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.31 -5.04 37.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 70.22 112.5 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.762 HD23 ' HD3' ' A' ' 48' ' ' ARG . 10.4 mt -90.34 -23.67 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 61.24 110.962 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.683 ' HB ' HD12 ' A' ' 17' ' ' LEU . 6.8 m -67.84 -46.06 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 63.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.699 HD23 HD11 ' A' ' 17' ' ' LEU . 1.4 pp -61.02 -49.8 75.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.904 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.762 ' HD3' HD23 ' A' ' 45' ' ' LEU . 3.7 ptm180 -67.92 -12.31 60.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.86 -27.0 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 14' ' ' VAL . 1.5 pp -95.05 -20.75 19.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.6 mt -54.58 -32.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.11 111.134 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.65 -17.46 72.98 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.48 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 m -74.94 -29.35 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 63.32 110.873 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.534 HG12 HG21 ' A' ' 69' ' ' ILE . 6.2 t -96.69 -35.08 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.137 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.61 -35.65 68.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 60.1 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -62.45 -19.33 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.867 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.89 24.6 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.86 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -60.79 -59.2 14.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 60.13 110.918 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.72 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 73.02 112.395 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -68.07 -15.11 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.901 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' A' ' 127' ' ' ALA . 1.3 mm? -91.83 154.42 43.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 71.21 110.938 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.712 ' CG ' HD13 ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.75 179.99 3.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 72.52 112.335 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -77.55 61.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.854 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -170.29 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 50.13 110.838 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -98.79 -24.33 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.859 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -57.73 -30.85 65.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.817 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 m -70.54 -24.1 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.32 111.149 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.68 -59.92 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.534 HG21 HG12 ' A' ' 54' ' ' VAL . 64.3 mt -62.43 -42.61 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 54.21 111.101 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -15.52 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.936 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.5 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -100.85 -19.07 18.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 70.02 112.481 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.437 HG21 ' HG ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -95.34 -39.03 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.714 0.293 . . . . 72.03 111.136 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -69.79 -11.14 60.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -39.66 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.922 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.683 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -79.62 -16.93 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 62.31 110.908 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 47' ' ' LEU . 1.9 tp -57.95 -34.3 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.93 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -86.18 4.79 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.873 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -108.0 -20.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 52.32 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.77 -19.8 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 63.13 110.863 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.799 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.83 -17.24 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.14 110.91 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.24 -32.64 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 51.33 111.105 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.45 -30.6 17.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.731 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.2 tp -66.28 -49.94 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.02 -41.38 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.4 111.125 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.02 -34.07 76.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.851 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -72.91 -25.36 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.04 110.867 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 74.2 mmm -71.02 -60.35 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 72.53 110.865 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -56.73 -23.51 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 73.41 110.85 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 tp -90.51 -27.54 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.916 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.29 37.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 42.12 111.085 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.74 31.46 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.935 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -94.6 20.64 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 m120 51.91 39.42 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.847 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.44 139.7 24.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 61.42 111.076 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.39 65.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.13 111.129 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 t -121.04 -7.89 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 70.21 111.139 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 63.43 27.32 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 65.44 110.874 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' H ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -121.4 -75.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.87 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.4 m 50.85 25.67 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.855 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -101.39 -54.33 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 70.15 110.877 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.438 ' H ' HD21 ' A' ' 98' ' ' LEU . 10.0 tt0 -58.12 -42.34 85.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.92 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.92 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.23 111.107 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -75.03 -33.0 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.933 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -87.91 -23.49 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -74.63 -43.93 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.898 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.591 ' O ' HD13 ' A' ' 83' ' ' LEU . 6.7 ptp -52.67 -35.81 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 72.15 110.867 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' A' ' 25' ' ' LYS . 7.9 tp -76.42 -40.68 50.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 64.11 110.872 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m -58.55 -21.88 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.06 -36.26 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 74.03 111.069 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.763 ' CB ' HD11 ' A' ' 24' ' ' LEU . 2.8 m -56.97 -53.44 57.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.863 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -55.27 -27.73 48.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -58.0 -22.95 52.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 74.01 111.183 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.4 mp -79.17 -23.37 43.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.929 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.815 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -40.06 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 42.21 111.087 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.3 p -52.39 -28.99 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 71.34 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.683 ' CG ' HD11 ' A' ' 75' ' ' LEU . 3.2 t70 -80.72 -33.41 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.885 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.801 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -65.03 -15.18 62.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 71.43 111.137 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -82.82 -64.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -53.63 -28.23 31.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 52.23 110.893 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.8 OUTLIER -77.13 -39.7 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.898 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 121' ' ' LEU . 11.3 tp -51.7 -37.87 52.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 70.01 110.933 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -80.26 -27.29 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 54.41 110.84 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.422 ' HB3' HD23 ' A' ' 120' ' ' LEU . . . -60.54 -61.9 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.092 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 10' ' ' VAL . 7.9 p -60.52 -29.26 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -62.87 -29.62 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.844 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -102.85 -25.47 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 65.14 110.941 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' A' ' 61' ' ' LEU . . . -78.03 -47.82 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.12 111.105 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -55.48 -25.07 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.23 -36.28 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 60.13 111.167 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.712 HD13 ' CG ' ' A' ' 62' ' ' PRO . 6.6 mt -63.06 -18.79 63.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.98 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.04 -30.49 15.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 13.24 111.118 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -84.56 -42.19 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.864 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.499 HD12 HD23 ' A' ' 130' ' ' LEU . 42.1 mt -66.01 -25.01 66.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 70.02 110.867 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -51.51 140.36 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 52.44 111.1 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 54.21 110.883 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.738 0.304 . . . . 72.43 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -147.53 113.57 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 71.12 110.829 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.87 88.18 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 64.12 110.875 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.94 30.97 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 64.23 110.85 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -79.41 72.87 6.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 63.4 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.2 p -145.1 -178.2 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 72.24 111.136 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -95.54 33.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 60.4 110.846 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -51.88 137.18 26.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.837 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 9' ' ' LEU . 10.9 tp -116.25 -19.47 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 65.15 110.914 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 124' ' ' VAL . 30.0 t -88.86 -13.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.1 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.606 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -94.93 -24.82 16.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 62.22 110.924 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -72.28 -22.33 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.937 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.99 -46.79 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 63.05 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.774 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 2.6 p -55.36 -25.81 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 52.35 111.129 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.4 ttp -69.34 -45.4 69.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.81 -32.88 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.858 HD11 HD23 ' A' ' 47' ' ' LEU . 8.4 tt -79.43 -50.58 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 71.12 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' A' ' 114' ' ' ALA . 49.3 t -58.6 -21.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.068 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -90.41 -46.63 8.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.855 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.87 -16.31 62.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 54.33 111.081 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.58 ' HA ' HD23 ' A' ' 24' ' ' LEU . 8.7 p -93.08 -18.89 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.121 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.8 tt -86.02 -29.39 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 70.15 110.943 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -70.06 -23.09 63.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.2 pp -88.75 -3.24 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.864 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 107' ' ' LEU . 21.4 mtpt -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.945 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.1 -21.68 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -92.58 0.21 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.915 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.71 -43.24 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 71.32 110.903 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -93.1 43.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 63.12 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -134.36 -40.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.55 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -129.01 159.85 66.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 74.43 110.908 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.3 Cg_endo -69.8 169.2 19.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 71.04 112.341 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' HB3' ' HE1' ' A' ' 106' ' ' MET . 53.8 Cg_endo -69.8 -15.94 37.18 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.7 2.267 . . . . 70.25 112.348 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 37' ' ' VAL . 27.4 tp10 -71.02 -15.57 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.875 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.02 -30.05 8.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.673 -0.775 . . . . 73.33 112.462 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.8 m-85 -72.96 -30.79 64.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.845 0.355 . . . . 72.32 110.9 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 34' ' ' GLU . 6.9 p -51.16 -30.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 75.13 111.136 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.23 -29.67 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.104 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.1 t -72.36 -37.43 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 65.11 111.129 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' TYR . 41.4 t -55.71 -24.84 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 64.41 111.101 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.72 -52.32 39.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.923 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.491 HD21 HG13 ' A' ' 39' ' ' VAL . 5.0 p30 -71.91 -20.77 61.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.881 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 39' ' ' VAL . 92.4 t -84.19 -23.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.14 111.081 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.14 -14.61 20.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 64.41 112.522 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' A' ' 48' ' ' ARG . 10.1 mt -84.31 -4.74 59.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 71.3 110.92 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.689 ' HB ' HD12 ' A' ' 17' ' ' LEU . 2.1 m -84.27 -47.65 10.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.55 111.138 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.858 HD23 HD11 ' A' ' 17' ' ' LEU . 1.7 pp -62.46 -47.22 85.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 70.14 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.789 ' HD2' HD23 ' A' ' 45' ' ' LEU . 18.8 ptp180 -67.41 -12.64 60.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.01 110.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -96.53 -29.91 13.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.23 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.1 -22.04 20.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.898 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.6 mt -54.86 -33.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.097 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.28 -13.06 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 53.13 112.492 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 m -86.87 -28.33 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 74.43 110.823 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 69' ' ' ILE . 2.9 t -97.82 -31.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.748 ' HA ' HD23 ' A' ' 58' ' ' LEU . 8.1 t70 -73.92 -17.94 60.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.857 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.38 -23.83 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.14 110.85 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.75 4.61 47.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -50.92 -60.0 6.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.738 . . . . 55.12 110.922 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.83 -8.39 23.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 64.11 112.346 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -101.32 0.64 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.851 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.676 HD22 HD12 ' A' ' 69' ' ' ILE . 1.2 mp -97.03 160.39 29.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 62.02 110.942 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -174.99 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 71.42 112.315 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.7 p -94.24 53.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.02 110.843 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -149.94 -46.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -100.45 -20.93 15.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 60.33 110.855 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -52.78 -50.21 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 72.11 110.858 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.403 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 2.6 m -71.24 -9.69 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.12 111.148 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.47 -47.0 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.883 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.715 HG21 HG12 ' A' ' 54' ' ' VAL . 18.6 mt -72.3 -39.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 55.51 111.133 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HB3' HD11 ' A' ' 58' ' ' LEU . 1.6 pp20? -53.08 -35.37 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.845 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.56 -2.3 65.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.683 HG21 ' HG ' ' A' ' 120' ' ' LEU . 98.4 m -96.18 -43.31 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 74.54 111.118 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -61.65 -17.58 56.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -40.59 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.92 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -74.6 -24.0 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.12 110.885 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 47' ' ' LEU . 2.0 tp -61.92 -17.43 56.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 52.55 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.77 4.29 54.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -101.83 -28.94 12.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.91 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.27 -27.64 67.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.918 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.779 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -104.85 -7.01 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.948 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.069 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.25 -30.79 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.2 tp -67.02 -54.12 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.459 HG12 HG11 ' A' ' 40' ' ' VAL . 37.3 mt -56.28 -49.36 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.115 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.68 -25.73 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 64.44 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -80.1 -26.55 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 52.13 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.457 ' HE1' ' HB2' ' A' ' 36' ' ' TYR . 53.0 mmm -69.12 -56.5 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.855 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -61.57 -17.96 57.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.902 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 tp -98.25 -17.28 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.874 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.564 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . . . -93.06 -22.51 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 51.41 111.097 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -126.19 26.66 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.93 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.02 168.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.912 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.87 59.37 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.33 110.878 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 -174.89 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 54.24 111.114 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.81 58.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -110.24 174.74 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.142 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.7 p -98.73 -24.85 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.826 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.42 -28.02 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.937 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -25.68 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.81 -36.06 69.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 60.33 110.848 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.27 -33.84 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 63.54 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 90' ' ' ALA . . . -68.06 -23.06 64.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 40.42 111.073 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.79 -34.69 78.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 74.13 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -89.29 -20.89 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -87.36 -24.08 24.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 55.24 110.921 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.535 ' O ' HD13 ' A' ' 83' ' ' LEU . 8.5 ptp -75.13 -26.86 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.852 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -82.34 -25.74 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 63.52 110.9 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -24.7 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.45 111.155 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.26 -30.43 19.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 64.43 111.097 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.698 ' HA ' HD22 ' A' ' 83' ' ' LEU . 19.6 m -57.53 -56.86 16.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.851 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -54.44 -26.33 30.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 45.3 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.508 ' HA ' HG12 ' A' ' 115' ' ' VAL . 2.9 m -59.7 -20.5 56.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.33 111.104 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.6 mp -77.9 -23.97 48.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 63.34 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.703 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -49.09 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.085 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 112' ' ' THR . 5.7 p -51.62 -29.29 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.137 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -88.82 -29.13 19.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.86 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.774 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -70.56 -24.24 62.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.42 111.123 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -76.86 -26.05 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -70.3 -29.34 66.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 60.34 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.683 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.7 OUTLIER -78.55 -40.69 34.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.916 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' ' 11' ' ' TYR . 12.5 tp -54.27 -38.58 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.915 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -31.53 71.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.03 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.099 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 10' ' ' VAL . 17.4 m -57.58 -27.58 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.45 111.106 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.75 -52.6 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 62.44 110.875 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -76.29 -27.14 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.916 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -70.45 -42.92 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.076 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -23.67 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.905 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.8 -36.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 72.45 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 65.1 mt -81.17 -26.21 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 54.05 110.908 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.22 86.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 55.32 111.093 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.2 -35.06 79.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 71.42 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.66 -25.62 68.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.906 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.53 166.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 75.25 111.092 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 14.3 m170 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.84 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.796 0.331 . . . . 64.2 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -113.36 61.64 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 61.5 110.88 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 pp -122.85 27.15 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.9 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -119.37 26.18 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.907 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 58.96 43.59 17.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.853 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.5 t -84.91 -1.07 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.18 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -103.45 -28.56 11.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.868 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -103.5 117.64 34.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.35 24.71 4.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.2 110.944 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 124' ' ' VAL . 69.9 t -88.04 -43.42 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 61.43 111.141 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.602 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -76.99 -18.15 58.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.9 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD22 ' CD2' ' A' ' 11' ' ' TYR . 2.3 mm? -73.42 -18.79 61.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 62.03 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -99.95 -46.81 5.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.887 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 10' ' ' VAL . 8.6 m -51.84 -29.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.52 111.152 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.2 ttm -59.01 -63.49 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.899 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -51.88 -29.95 21.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.844 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' HB ' ' A' ' 46' ' ' THR . 25.9 tp -70.98 -54.41 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.924 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.943 HG13 ' HB1' ' A' ' 114' ' ' ALA . 99.6 t -60.35 -22.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.2 111.153 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -80.51 -52.57 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.62 -36.73 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 73.11 111.143 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.0 p -77.32 -22.32 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 73.35 111.157 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.7 tt -72.74 -29.93 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 72.15 110.954 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.53 -51.92 37.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.61 HD23 HG21 ' A' ' 43' ' ' VAL . 1.1 pp -58.67 -22.07 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.05 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HA ' HD12 ' A' ' 107' ' ' LEU . 10.8 mtpt -71.9 -69.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 65.22 110.88 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.64 -26.3 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 62.24 110.864 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.96 20.41 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.666 HD11 ' HG2' ' A' ' 103' ' ' LYS . 3.1 tm? -76.32 -25.3 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 74.54 110.958 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.3 t -108.21 43.87 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -134.53 -41.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.09 160.29 31.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 73.43 110.93 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.37 21.76 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 74.21 112.352 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 61.43 112.285 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -97.1 22.58 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 53.15 110.907 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.44 -37.36 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 74.14 112.504 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.739 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.9 m-85 -65.62 -14.7 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.898 0.38 . . . . 74.14 110.934 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.99 -12.52 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 64.31 111.129 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -93.55 -33.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.13 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.12 -24.99 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.54 111.1 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 36' ' ' TYR . 59.3 t -60.86 -18.78 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.15 111.089 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.15 -58.34 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.913 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.451 ' OD1' HG23 ' A' ' 43' ' ' VAL . 23.8 p30 -66.88 -21.32 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.3 110.859 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG21 HD23 ' A' ' 24' ' ' LEU . 52.5 t -83.93 -27.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.51 111.122 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.13 1.54 37.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 62.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.675 HD23 ' HD3' ' A' ' 48' ' ' ARG . 5.5 mt -96.82 -20.98 17.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.364 . . . . 74.23 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.487 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.82 -16.52 60.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 64.31 111.114 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' A' ' 50' ' ' LEU . 3.9 pp -92.17 -42.33 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.907 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.675 ' HD3' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -68.22 -13.97 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.869 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -39.97 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 63.03 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -68.39 -25.68 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.939 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 48' ' ' ARG . 20.6 mt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.132 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.57 -12.19 58.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.744 . . . . 64.42 112.476 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.5 p -85.58 -47.44 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 75.3 110.857 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 HD13 ' A' ' 69' ' ' ILE . 3.0 t -78.13 -18.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 41.54 111.136 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.87 -22.81 39.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 53.33 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.508 ' HB3' HD22 ' A' ' 57' ' ' LEU . 51.5 t0 -58.78 -32.87 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 60.44 110.898 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 56' ' ' ASP . 2.1 mm? -119.0 18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 65.24 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -51.07 -57.48 13.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 54.02 110.906 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.76 -6.34 18.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 53.54 112.321 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -91.67 14.69 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 52.24 110.865 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.024 HD22 ' HB1' ' A' ' 127' ' ' ALA . 4.0 mt -110.13 156.35 40.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 74.12 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.73 -168.66 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.25 . . . . 61.34 112.323 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -89.3 11.16 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 41.12 110.84 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 t -120.23 -17.63 8.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.839 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -112.29 -37.05 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.54 110.851 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -54.26 -47.42 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 65.44 110.883 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -60.04 -20.43 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.1 111.09 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.03 -60.7 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 61.32 110.927 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.716 HD12 ' CD1' ' A' ' 61' ' ' LEU . 67.9 mt -68.24 -46.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.126 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.14 -22.1 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.52 -11.28 33.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 34.21 112.468 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.7 HG21 HD23 ' A' ' 120' ' ' LEU . 66.9 m -95.76 -48.29 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 62.44 111.123 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB3' HG23 ' A' ' 51' ' ' ILE . 4.6 mm-40 -59.64 -21.63 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -39.96 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.895 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.7 OUTLIER -73.57 -18.13 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 52.12 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 51' ' ' ILE . 1.2 tp -59.15 -25.7 64.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 53.21 110.883 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -91.97 4.73 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.6 -24.02 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.44 110.876 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.44 -23.12 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.41 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.773 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.24 -10.35 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 65.23 110.896 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.506 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -61.88 -27.19 68.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.101 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.2 -28.73 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 75.14 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.3 tp -69.29 -44.75 71.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 63.44 110.91 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.37 -34.31 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.51 111.142 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -65.49 -55.59 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.1 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 14.2 tppt? -68.6 -15.54 63.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 64.22 110.885 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 tpt -69.63 -67.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.885 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -58.08 -22.16 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.882 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.72 -17.01 27.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 61.13 110.956 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -70.37 -35.35 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.093 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.2 24.56 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.863 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.728 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -58.89 149.66 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.913 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -100.94 80.19 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.917 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.728 ' HB3' ' OE1' ' A' ' 92' ' ' GLN . . . -144.45 149.44 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.01 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.29 -22.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 61.42 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -51.59 135.25 28.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 71.45 111.12 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -77.52 -16.19 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.881 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.8 tt -51.87 -29.68 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 62.15 110.897 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -51.76 -30.3 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 62.43 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.62 -39.29 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 52.24 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.73 -26.67 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.911 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.95 -24.38 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.04 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.666 ' HG2' HD11 ' A' ' 28' ' ' LEU . 16.8 ttpt -55.7 -59.47 4.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.924 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -70.79 -31.42 68.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 108' ' ' THR . 68.5 mm-40 -74.6 -7.3 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.53 110.903 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.82 -52.86 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.904 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.5 tt -62.26 -23.93 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.939 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 105' ' ' GLN . 14.4 t -66.46 -24.5 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.123 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.71 14.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 65.2 111.103 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.578 ' HA ' HD22 ' A' ' 83' ' ' LEU . 84.1 p -55.55 -50.58 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.838 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.594 ' O ' HG23 ' A' ' 115' ' ' VAL . 15.7 t-160 -53.3 -33.33 52.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.863 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 m -53.28 -40.94 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 74.31 111.138 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -59.51 -25.12 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.91 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -93.67 -44.66 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.14 111.098 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 111' ' ' HIS . 22.1 t -57.99 -23.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.02 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.585 ' OD1' HD11 ' A' ' 75' ' ' LEU . 7.5 m-20 -90.04 -14.68 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.582 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -94.22 21.79 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.21 111.12 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.18 -60.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.932 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -61.54 -18.66 60.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 72' ' ' THR . 3.1 tm? -78.36 -30.49 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.13 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.602 HD13 ' HB2' ' A' ' 11' ' ' TYR . 9.4 tp -58.26 -41.48 84.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.02 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.87 -27.56 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.857 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 120' ' ' LEU . . . -68.38 -50.32 53.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 44.4 111.093 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 10' ' ' VAL . 6.3 p -64.02 -33.18 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 65.3 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.0 -28.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 63.25 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.666 ' O ' HD23 ' A' ' 130' ' ' LEU . 24.7 mm100 -104.18 7.47 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.94 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 1.024 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -108.44 -41.39 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 61.31 111.086 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.79 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.916 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.7 t -84.19 -39.11 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 44.52 111.147 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 133' ' ' LEU . 3.7 mm? -61.09 -24.08 65.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.11 -23.64 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 51.15 111.123 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -115.42 28.11 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 72.3 110.903 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 130' ' ' LEU . 1.5 pp -79.67 -25.82 41.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.909 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.29 168.32 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.08 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.83 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.778 0.323 . . . . 42.23 111.085 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -115.28 67.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.91 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.519 HD12 HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -120.77 40.45 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.958 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.5 146.79 31.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.84 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 60.28 29.21 18.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.834 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.3 m -113.82 141.27 47.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 71.54 111.158 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -119.68 -36.29 3.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 64.24 110.857 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -88.17 50.71 2.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.853 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.3 pt? -99.23 -20.6 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.934 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.736 HG11 HG11 ' A' ' 124' ' ' VAL . 3.5 p -54.48 -26.26 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 73.51 111.157 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.99 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.918 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -74.64 -28.53 60.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 72.35 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -86.71 -55.13 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.01 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.764 HG13 ' HB1' ' A' ' 117' ' ' ALA . 39.3 t -52.3 -28.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.115 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.0 ttm -56.76 -53.74 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.9 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.591 ' HG3' HG21 ' A' ' 46' ' ' THR . 4.8 pt-20 -69.83 -23.59 63.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 75.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 46' ' ' THR . 27.0 tp -68.7 -47.72 65.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.953 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.749 HG13 ' HB1' ' A' ' 114' ' ' ALA . 23.1 t -69.2 -24.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 70.12 111.111 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.51 -51.56 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.891 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.91 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.22 111.118 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 114' ' ' ALA . 8.9 p -78.35 -18.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.11 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.0 tp -81.48 -27.53 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -71.25 -38.1 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.587 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.3 pp -72.94 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.01 110.913 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HA ' HD12 ' A' ' 107' ' ' LEU . 10.6 mmmt -74.53 -50.46 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.914 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -76.85 -24.48 52.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 61.23 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.91 -5.12 47.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.843 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.611 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -51.4 -36.84 45.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.885 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.6 t -117.15 46.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 65.01 110.822 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -144.85 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -112.04 155.88 42.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 75.22 110.874 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 168.7 20.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 64.33 112.305 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.87 35.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 72.31 112.374 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.494 ' O ' HG12 ' A' ' 37' ' ' VAL . 40.4 tp10 -73.19 -14.13 61.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.886 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.81 -37.15 6.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 60.5 112.532 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.0 m-85 -57.62 -36.51 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 72.41 110.865 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 34' ' ' GLU . 14.3 p -56.84 -24.22 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 71.41 111.14 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.25 -22.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 65.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 43' ' ' VAL . 58.3 t -84.11 -45.94 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.131 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 36' ' ' TYR . 37.1 t -51.16 -30.13 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.52 111.087 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.76 -51.06 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.923 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -71.43 -24.04 61.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.15 110.87 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 39' ' ' VAL . 88.8 t -79.53 -25.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.125 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.8 30.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.455 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.802 HD23 ' HD3' ' A' ' 48' ' ' ARG . 5.9 mt -83.92 -16.09 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 75.42 110.874 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.652 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.71 -50.06 16.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.168 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.545 HD21 HD23 ' A' ' 80' ' ' LEU . 2.8 pp -60.07 -45.82 91.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.32 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.802 ' HD3' HD23 ' A' ' 45' ' ' LEU . 6.7 ptm180 -67.74 -12.94 61.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.864 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -96.83 -23.7 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.912 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 50' ' ' LEU . 3.8 pp -101.02 -11.24 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 61.25 110.912 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 48' ' ' ARG . 5.3 mt -64.19 -30.36 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 61.01 111.104 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.82 0.29 82.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 64.02 112.518 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 t -92.81 -30.32 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 54.51 110.844 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.6 ' HA ' HD21 ' A' ' 57' ' ' LEU . 2.1 t -97.75 -0.87 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 62.14 111.154 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -86.76 -27.12 23.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.857 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.1 -8.58 56.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 52.15 110.837 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.659 HD12 HD11 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -117.91 -9.41 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.906 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 61' ' ' LEU . 1.6 mt -47.65 -59.98 4.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 74.42 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.77 -8.68 24.22 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.256 . . . . 73.51 112.344 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -110.53 31.2 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 42.11 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.778 ' CD2' ' HB1' ' A' ' 127' ' ' ALA . 13.5 mt -119.32 158.85 47.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.569 0.7 . . . . 73.14 110.962 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HG3' HD13 ' A' ' 130' ' ' LEU . 53.6 Cg_endo -69.8 169.19 19.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 64.03 112.345 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.1 m -80.26 58.59 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.891 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -162.85 -40.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 61.32 110.853 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 69' ' ' ILE . 11.0 p -96.73 -33.31 11.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.84 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.01 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.858 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -58.14 -26.43 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.43 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 44.32 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.503 HD13 ' CD1' ' A' ' 61' ' ' LEU . 3.2 mt -57.74 -45.06 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 73.2 111.126 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.72 -29.12 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.926 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.41 -31.78 6.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 53.35 112.452 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.556 HG21 ' HG ' ' A' ' 120' ' ' LEU . 5.3 m -66.87 -45.16 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 53.34 111.107 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.504 ' OE1' HD11 ' A' ' 120' ' ' LEU . 2.9 mm100 -66.71 -20.22 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 60.33 110.903 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -45.3 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.4 110.873 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.651 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -78.59 -13.54 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 55.24 110.932 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.5 tp -62.51 -16.79 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.926 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -102.03 5.0 40.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.863 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.47 -35.33 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.901 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.2 -26.75 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.94 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -102.84 -14.58 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 65.21 110.926 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.555 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -62.16 -35.68 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 53.45 111.121 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -89.29 -29.92 18.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.1 tp -66.08 -49.11 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.941 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 mt -59.08 -41.18 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.129 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.53 -54.88 42.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.886 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 13.4 tptt -61.34 -19.11 61.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 73.15 110.896 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -65.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.91 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -57.41 -22.89 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 55.34 110.833 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.1 tp -91.46 -17.31 25.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 72.1 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -70.65 -35.3 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 51.14 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.15 23.85 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.928 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.575 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -59.81 150.14 29.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.955 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -108.41 70.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.891 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.575 ' HB3' ' OE1' ' A' ' 92' ' ' GLN . . . -112.62 -169.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 43.33 111.103 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 95' ' ' VAL . 6.7 p -114.5 23.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.121 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.662 HG22 ' H ' ' A' ' 98' ' ' LEU . 3.8 m -53.87 148.08 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 73.54 111.181 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.4 m -88.56 -18.16 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 55.14 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.662 ' H ' HG22 ' A' ' 96' ' ' THR . 4.2 tp -100.45 -73.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 p 54.1 22.88 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.85 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -100.69 -45.77 5.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 65.52 110.882 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -55.58 -32.86 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.915 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.54 -18.02 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.1 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -90.87 -43.41 10.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 63.41 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.69 -26.52 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.862 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -74.9 -13.64 60.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.491 ' O ' HD13 ' A' ' 83' ' ' LEU . 8.6 ttm -87.31 -26.8 23.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 65.45 110.882 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -87.01 -32.82 19.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.44 110.889 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -66.03 -22.19 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.157 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.62 -36.85 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 61.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.755 ' HA ' HD22 ' A' ' 83' ' ' LEU . 97.0 p -56.69 -54.61 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.24 110.87 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.752 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.7 t60 -52.82 -30.89 35.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 m -53.87 -33.24 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 64.32 111.13 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.0 mp -67.06 -39.05 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.908 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.749 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -79.92 -31.14 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 111' ' ' HIS . 85.6 t -56.83 -23.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.116 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.651 ' CG ' HD11 ' A' ' 75' ' ' LEU . 4.4 t0 -91.01 -44.61 9.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.895 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.764 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -55.47 -25.41 36.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.41 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -67.56 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.868 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.49 -25.96 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.556 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.5 OUTLIER -77.29 -43.38 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.44 110.956 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.0 tp -53.8 -27.83 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.951 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.63 -26.29 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 62.11 110.896 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.65 -59.74 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.33 111.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.736 HG11 HG11 ' A' ' 10' ' ' VAL . 23.4 t -59.56 -34.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.04 111.103 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.31 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.13 110.893 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -97.16 -28.07 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.23 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.778 ' HB1' ' CD2' ' A' ' 61' ' ' LEU . . . -69.49 -50.17 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.24 111.128 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.21 58.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.7 t -86.06 -25.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.44 111.148 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.846 HD23 HD22 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -65.21 -33.08 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.929 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.03 -29.69 22.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.074 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -110.2 35.12 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.846 HD22 HD23 ' A' ' 130' ' ' LEU . 1.5 pp -87.75 -30.01 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 70.13 110.894 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.34 114.82 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.05 111.119 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.766 0.317 . . . . 74.42 111.062 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -79.03 110.09 13.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 73.53 110.856 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 26.7 mt 55.45 53.59 9.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.887 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.67 90.41 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.911 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -125.87 124.66 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.865 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 t -155.78 165.17 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 65.43 111.107 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -94.32 40.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 62.1 110.835 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -87.51 85.29 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 63.22 110.91 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.26 -30.61 28.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.3 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 14' ' ' VAL . 85.1 t -58.22 -36.99 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.02 111.155 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.754 ' HB2' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -79.39 -18.7 51.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 74.32 110.916 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.519 HD22 ' CE2' ' A' ' 11' ' ' TYR . 1.8 mm? -72.58 -18.16 61.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 63.03 110.928 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -100.33 -47.67 4.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.4 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.804 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 10.1 m -51.48 -29.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 54.32 111.139 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttp -60.37 -58.76 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 65.2 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.71 -36.8 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.05 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD23 ' HB2' ' A' ' 117' ' ' ALA . 23.9 tp -61.54 -45.7 93.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 73.15 110.932 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 ' HB1' ' A' ' 114' ' ' ALA . 59.0 t -68.15 -20.44 25.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.22 111.125 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -85.46 -50.19 7.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.881 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.93 -24.53 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 45.45 111.142 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 114' ' ' ALA . 10.2 p -93.24 -8.92 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 74.11 111.139 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 -26.61 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 63.41 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.28 -30.41 62.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.859 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.632 HD23 HG21 ' A' ' 43' ' ' VAL . 1.6 pp -83.49 -2.8 56.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 72.32 110.931 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HA ' HD12 ' A' ' 107' ' ' LEU . 18.7 mttt -81.84 -61.15 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.936 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -71.95 -22.86 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.849 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -90.05 11.66 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -75.2 -25.4 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.907 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -109.28 44.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.839 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -135.72 -51.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.942 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.3 160.68 28.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 75.13 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.24 19.36 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 73.43 112.353 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -8.64 24.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 74.41 112.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -78.26 -3.53 43.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 64.25 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.16 -47.2 1.09 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 40.33 112.447 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.751 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.6 m-85 -53.28 -30.47 38.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 72.55 110.926 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.39 -25.79 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 63.01 111.152 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.45 -29.19 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -76.51 -25.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.132 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' TYR . 51.3 t -66.23 -17.11 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 54.22 111.169 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.2 -54.63 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.23 110.918 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.39 -23.89 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.917 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.81 HG12 HD22 ' A' ' 113' ' ' LEU . 74.5 t -80.27 -26.49 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 54.42 111.123 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.24 -4.44 38.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 51.05 112.486 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 48' ' ' ARG . 5.7 mt -92.12 -6.59 50.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 65.23 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.443 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.05 -28.28 19.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.068 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.797 HD21 HD23 ' A' ' 80' ' ' LEU . 4.6 pp -85.8 -32.48 21.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 61.14 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.765 ' HA ' HD12 ' A' ' 51' ' ' ILE . 17.2 ptp180 -77.79 -14.71 59.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.874 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.85 -35.14 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.3 110.929 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.06 -24.04 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 54.12 110.901 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 48' ' ' ARG . 19.2 mt -59.34 -27.8 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 51.5 111.149 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.94 1.47 74.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 54.32 112.459 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.87 -27.78 13.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 74.44 110.878 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.695 HG12 HD13 ' A' ' 69' ' ' ILE . 2.7 t -97.86 -23.84 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 64.34 111.144 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.28 -20.86 60.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.851 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -73.33 -12.13 60.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.887 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.01 -2.8 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 45.13 110.923 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.1 mt -49.27 -59.71 6.07 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.645 0.736 . . . . 74.13 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.83 -7.58 21.43 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 74.31 112.321 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -113.66 25.26 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.904 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.707 HD21 ' HB1' ' A' ' 127' ' ' ALA . 9.9 mt -117.64 159.0 43.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.25 110.92 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -174.89 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 73.44 112.373 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.3 p -92.02 51.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -152.63 -47.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 52.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 m -92.99 -34.81 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.846 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -52.52 -44.92 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -71.55 -19.73 62.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.32 111.137 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -60.78 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 62.2 110.876 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.695 HD13 HG12 ' A' ' 54' ' ' VAL . 22.9 mt -54.53 -41.17 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.144 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.39 -35.25 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 61.32 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.44 -8.81 59.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 53.24 112.526 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.781 ' CG2' HD12 ' A' ' 120' ' ' LEU . 28.4 m -93.37 -49.26 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 75.31 111.11 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.17 -32.67 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.1 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.875 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.4 OUTLIER -67.56 -20.37 65.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.92 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.85 -19.75 60.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.924 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.425 ' HA ' HD11 ' A' ' 80' ' ' LEU . 12.5 m-80 -94.81 4.58 53.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -103.38 -24.76 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.879 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.623 ' OD1' HG22 ' A' ' 112' ' ' THR . 12.8 m-20 -65.22 -24.7 67.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 74.55 110.887 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.797 HD23 HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -106.49 -12.16 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 54.3 110.953 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.81 -32.32 73.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.141 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -88.64 -32.1 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 70.42 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.554 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.0 tp -65.76 -53.45 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.884 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.568 HG12 HG11 ' A' ' 40' ' ' VAL . 17.0 mt -61.87 -42.7 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.153 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.35 -29.89 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -76.1 -24.05 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 73.05 110.916 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.9 tpp -72.44 -57.07 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.877 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -60.5 -18.6 52.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.848 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp -98.28 -20.95 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.883 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.83 -57.8 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.34 111.095 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -79.06 -2.05 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 62.12 110.927 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.88 154.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -74.32 83.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.65 170.15 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 62.32 111.106 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.91 30.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.104 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -149.17 170.42 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.172 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -75.79 73.27 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.833 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.0 tp -113.58 -25.52 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -52.01 -43.0 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.11 110.894 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -65.27 -39.18 92.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 65.24 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.51 -50.66 57.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.877 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.65 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.047 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -58.02 -49.04 78.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -78.02 -39.65 41.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -62.77 -26.47 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.933 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.8 ttp -65.12 -61.13 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.872 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -57.62 -24.38 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.8 m -63.34 -24.47 67.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 75.44 111.132 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.42 -27.66 18.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.09 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.554 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.4 m -60.85 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 43.51 110.857 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.9 t-80 -51.17 -34.58 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.891 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.623 HG22 ' OD1' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -54.76 -41.01 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.44 111.127 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.81 HD22 HG12 ' A' ' 43' ' ' VAL . 4.9 mp -61.87 -18.26 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.913 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.944 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -97.05 -32.59 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 54.42 111.084 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 111' ' ' HIS . 4.8 t -80.45 -24.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.51 111.111 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.32 -12.41 60.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 54.34 110.877 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.804 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -88.64 -21.4 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.091 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -87.9 -35.83 17.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.869 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -61.97 -34.82 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.781 HD12 ' CG2' ' A' ' 72' ' ' THR . 3.2 tt -75.15 -49.54 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.11 110.893 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -48.65 -33.27 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.877 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.43 -43.2 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.898 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.85 -23.39 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.13 111.104 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 120' ' ' LEU . 43.0 t -81.7 -36.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.141 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -51.22 -51.17 56.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.858 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -69.66 -27.08 64.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.707 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -65.17 -50.71 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.15 111.126 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.77 -23.78 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 63.24 110.947 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -81.14 -39.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 71.02 111.107 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.416 HD23 HD12 ' A' ' 133' ' ' LEU . 59.6 mt -77.8 -26.04 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.15 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.087 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -69.35 -40.88 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.899 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 130' ' ' LEU . 59.6 mt -64.39 -26.33 68.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 71.42 110.905 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.15 134.47 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 51.34 111.098 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 20.9 m80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 65.34 110.904 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.796 0.331 . . . . 64.51 111.089 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 58.86 49.65 9.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 64.1 110.879 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -118.53 37.19 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.31 110.893 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.95 62.02 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 74.54 110.861 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -65.27 100.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.03 110.874 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.6 132.03 56.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.22 111.119 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -117.95 49.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 70.13 110.861 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -131.47 119.24 21.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 53.31 110.906 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 12' ' ' LEU . 2.2 pt? -56.98 -24.15 51.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.936 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 124' ' ' VAL . 87.5 t -56.56 -26.43 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.159 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.672 ' HA ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -95.25 -19.54 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.947 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 9' ' ' LEU . 6.9 mt -69.42 -15.85 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.932 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -100.73 -42.83 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.55 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.805 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 10.7 m -65.29 -30.27 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 41.13 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -58.92 -40.82 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.18 -29.06 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.884 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.4 tt -78.54 -50.52 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 71.53 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.936 HG13 ' HB1' ' A' ' 114' ' ' ALA . 18.0 t -61.62 -25.21 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.117 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -85.24 -36.39 20.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.87 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.8 -19.58 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 71.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.868 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.3 p -93.08 -18.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.164 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 18' ' ' VAL . 1.6 mm? -85.38 -25.23 27.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 53.12 110.934 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.77 -16.14 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 61.3 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -91.13 -6.2 53.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 54.12 110.931 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 107' ' ' LEU . 40.1 mtpt -91.36 -53.24 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.945 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.64 -12.69 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 71.34 110.843 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -101.91 -0.78 33.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.889 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -51.6 -36.76 46.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.92 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -99.1 42.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.869 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -131.57 -59.37 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD11 ' CZ ' ' A' ' 36' ' ' TYR . 0.4 OUTLIER -112.99 160.69 29.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 70.23 110.903 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.01 19.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 75.34 112.322 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -35.33 12.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 43.32 112.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 37' ' ' VAL . 11.1 tp10 -54.35 -35.13 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 63.24 110.891 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.715 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -84.69 -9.69 80.71 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.766 -0.73 . . . . 64.04 112.459 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -80.97 -20.49 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 75.43 110.927 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.8 p -59.24 -18.44 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 72.42 111.095 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 35' ' ' GLY . 7.4 p -88.26 -10.57 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.137 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 36' ' ' TYR . 0.3 OUTLIER -89.78 -24.95 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.174 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG11 HG12 ' A' ' 84' ' ' ILE . 10.0 t -70.02 -10.47 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.3 111.15 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -50.35 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.895 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' OD1' HG23 ' A' ' 43' ' ' VAL . 11.7 p30 -74.99 -29.84 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 73.1 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 HD22 ' A' ' 113' ' ' LEU . 73.4 t -77.36 -25.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 70.05 111.112 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.18 -37.5 4.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 72.1 112.497 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.1 -38.6 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 43.03 110.914 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.448 HG23 ' HZ3' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -68.79 -29.13 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 61.44 111.161 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.788 HD12 ' HG ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -70.42 -31.56 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.957 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.703 ' N ' HD23 ' A' ' 47' ' ' LEU . 13.0 ptm180 -91.04 -11.59 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' HZ3' HG23 ' A' ' 46' ' ' THR . 5.5 ttpm? -97.05 -14.2 21.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 64.11 110.911 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD21 HD21 ' A' ' 76' ' ' LEU . 1.4 pp -98.66 -34.81 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.943 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 73' ' ' GLN . 69.9 mt -61.22 -27.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 61.3 111.13 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 4.82 78.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 65.33 112.455 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -111.03 -25.3 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 72.22 110.833 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.652 ' CG2' HG13 ' A' ' 10' ' ' VAL . 3.5 t -98.2 -31.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 61.34 111.16 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' HA ' HD13 ' A' ' 58' ' ' LEU . 5.3 t70 -67.7 -14.04 62.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.24 110.903 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.21 -18.62 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.02 -6.19 22.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.905 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -48.24 -59.66 5.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 63.11 110.985 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.82 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 75.33 112.349 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 t -113.66 23.67 12.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.896 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.774 HD21 ' HB1' ' A' ' 127' ' ' ALA . 10.1 mt -115.65 158.69 41.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 74.13 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.575 ' HG3' HD13 ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.76 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 51.43 112.355 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -94.01 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 43.11 110.85 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.7 t -159.81 -53.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 73.03 110.836 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.6 p -79.33 -36.44 39.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.835 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -57.85 -45.13 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 73.24 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -61.14 -26.43 67.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.24 111.135 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -75.95 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.01 110.869 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.618 HG21 HG12 ' A' ' 54' ' ' VAL . 3.2 mt -55.97 -50.11 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 40.12 111.132 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.97 -26.56 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.892 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.11 -12.19 50.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 21.12 112.479 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.666 HG21 HD23 ' A' ' 120' ' ' LEU . 11.8 m -92.53 -50.31 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.724 0.297 . . . . 71.5 111.118 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.536 ' HB3' HG23 ' A' ' 51' ' ' ILE . 6.8 mm100 -62.16 -17.33 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.872 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -28.64 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.44 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.677 HD21 ' OD1' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -87.89 -18.36 29.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.892 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.788 ' HG ' HD12 ' A' ' 47' ' ' LEU . 6.1 tp -56.54 -38.71 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.31 110.968 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -73.04 -8.3 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.6 -13.4 22.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 42.22 110.889 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -76.81 -24.36 52.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.791 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -108.92 -3.3 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.54 110.897 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.04 111.128 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -90.94 -27.71 18.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 53.42 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.23 -47.94 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 65.44 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 80' ' ' LEU . 12.6 mt -64.83 -45.14 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.086 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -52.89 -41.35 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.601 ' HD3' HD23 ' A' ' 89' ' ' LEU . 1.5 tppm? -88.36 -13.05 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.907 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 tpt -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 43.21 110.887 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -98.15 -9.82 25.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.601 HD23 ' HD3' ' A' ' 86' ' ' LYS . 27.7 tp -98.13 -31.61 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 70.13 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.96 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 63.41 111.116 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -67.35 -16.97 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 70.12 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -51.66 141.78 15.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.876 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.17 65.01 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.34 129.04 34.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 62.11 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.63 -40.37 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.155 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -60.29 166.52 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 70.12 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.96 31.76 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 54.13 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.67 -22.31 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 52.44 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.6 t -51.82 -30.32 22.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.85 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -70.97 -45.88 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.44 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -40.75 89.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 65.51 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.8 -28.26 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 72.13 111.129 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' ' 28' ' ' LEU . 2.0 tptm -60.23 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -30.54 71.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.873 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -71.53 -26.4 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.953 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.6 ttm -69.76 -55.46 9.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 33.03 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 25' ' ' LYS . 2.0 tt -56.49 -24.74 48.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 62.11 110.923 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -74.8 -23.72 58.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.163 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -93.18 -24.14 18.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.108 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.536 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.39 -55.08 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 64.02 110.838 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.69 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.8 t60 -50.88 -31.04 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 61.22 110.874 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -29.01 51.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 75.15 111.133 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.791 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.2 mp -72.26 -31.07 65.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 64.04 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.936 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -86.55 -40.2 15.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.093 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 111' ' ' HIS . 46.5 t -51.21 -35.67 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 72.45 111.132 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.677 ' OD1' HD21 ' A' ' 75' ' ' LEU . 10.0 t0 -76.54 -48.34 19.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 52.42 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.805 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -58.06 -21.9 47.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.106 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -79.58 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -62.3 -17.29 58.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.918 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.666 HD23 HG21 ' A' ' 72' ' ' THR . 3.4 tm? -82.39 -29.44 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.848 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 11' ' ' TYR . 1.1 tt -62.08 -28.97 69.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 71.5 110.949 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -83.96 -31.78 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.88 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.08 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.14 111.097 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 10' ' ' VAL . 28.8 m -88.44 -27.95 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 75.31 111.152 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -52.6 -52.21 56.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 64.25 110.858 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -67.54 -25.42 65.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.55 110.906 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.774 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -73.57 -46.32 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.25 111.127 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -23.89 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.5 -24.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.575 HD13 ' HG3' ' A' ' 62' ' ' PRO . 2.7 mt -70.32 -30.74 67.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.862 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.68 71.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.106 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -58.86 -25.79 63.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.07 18.76 15.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 54.14 110.907 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.61 149.7 36.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 54.34 111.084 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.3 t60 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.888 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.762 0.315 . . . . 63.12 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -112.9 105.24 13.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 62.24 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.664 HD13 ' H ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -102.03 9.61 40.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.911 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -57.6 171.18 0.48 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 42.22 110.894 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -102.25 109.25 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 62.43 110.881 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 p -85.83 127.85 34.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.12 111.134 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -127.85 43.76 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.879 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.31 171.57 8.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.51 110.88 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -126.1 11.06 7.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.93 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.635 ' CG2' HG22 ' A' ' 54' ' ' VAL . 30.2 t -93.23 -36.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 65.42 111.102 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.29 -13.52 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 63.21 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -92.68 -47.31 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.897 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -71.65 -21.33 61.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.897 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.829 HG22 ' HB1' ' A' ' 117' ' ' ALA . 9.8 p -81.84 -27.27 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 73.12 111.142 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ttp -62.8 -53.39 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.59 -32.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.599 HD13 ' HB ' ' A' ' 46' ' ' THR . 30.6 tp -69.52 -42.01 75.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 71.05 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.774 HG13 ' HB1' ' A' ' 114' ' ' ALA . 96.8 t -72.16 -23.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 62.21 111.109 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.71 -52.27 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.29 62.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 61.22 111.077 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 24' ' ' LEU . 10.6 p -81.14 -22.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.152 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.2 tt -74.66 -28.23 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.895 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -32.67 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.681 ' CD2' HG21 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -85.76 1.15 50.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.31 110.89 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG2' HD12 ' A' ' 107' ' ' LEU . 15.4 mtpp -99.99 -23.81 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.921 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -101.87 1.62 37.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HB3' HD11 ' A' ' 31' ' ' LEU . 29.0 mt-10 -109.23 -0.7 19.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -55.15 -37.85 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 72.03 110.923 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -107.43 45.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 53.42 110.843 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.58 -42.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.921 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -140.49 160.85 57.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 43.21 110.926 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 169.06 19.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 62.04 112.306 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.73 26.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 62.05 112.359 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.94 -27.97 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.704 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -97.07 -20.19 24.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 63.14 112.48 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.3 m-30 -73.78 -30.55 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 72.12 110.927 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.71 -33.76 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.55 111.096 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 35' ' ' GLY . 9.2 p -93.12 -18.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 63.41 111.101 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 35' ' ' GLY . 94.0 t -76.25 -40.24 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.42 111.152 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 36' ' ' TYR . 23.5 t -56.75 -23.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.41 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -52.06 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.913 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -72.84 -23.74 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 34.01 110.91 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.681 HG21 ' CD2' ' A' ' 24' ' ' LEU . 97.1 t -81.11 -22.96 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.117 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.33 -15.68 16.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 73.21 112.49 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.766 HD23 ' HD3' ' A' ' 48' ' ' ARG . 11.3 mt -82.73 -4.28 57.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.957 0.408 . . . . 64.45 110.946 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.599 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.65 -50.91 7.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.092 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.747 HD21 HD23 ' A' ' 80' ' ' LEU . 1.5 pp -59.08 -48.52 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 65.32 110.948 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.766 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.2 ptm180 -64.69 -14.84 60.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 61.15 110.881 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -90.41 -30.17 17.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.841 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.53 -30.28 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.44 110.946 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 76' ' ' LEU . 19.3 mt -56.71 -27.55 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.133 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.78 3.92 77.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 54.35 112.471 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 p -105.7 -25.53 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 61.3 110.926 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.667 HG12 HD13 ' A' ' 69' ' ' ILE . 3.2 t -98.2 -22.56 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.13 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.85 -19.37 64.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.898 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.81 -19.31 60.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mp -102.44 -10.45 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 64.35 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 4.9 mt -47.75 -58.67 7.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 73.22 110.895 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.74 -7.88 22.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 72.13 112.334 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 m -116.55 20.9 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.858 HD22 ' HB1' ' A' ' 127' ' ' ALA . 10.2 mt -114.89 159.19 38.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 72.32 110.934 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.37 24.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 71.12 112.342 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 p -75.26 -5.08 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 70.33 110.867 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 -23.87 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -112.46 -24.61 9.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 50.23 110.806 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -51.48 -54.17 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -16.68 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 62.03 111.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.66 -60.6 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.757 HD12 HD13 ' A' ' 61' ' ' LEU . 65.2 mt -69.91 -45.85 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.41 -21.25 59.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 63.43 110.872 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.57 -14.63 37.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 55.33 112.492 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.64 HG21 HD23 ' A' ' 120' ' ' LEU . 39.0 m -96.21 -44.31 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.324 . . . . 54.2 111.186 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.495 ' HB3' HG23 ' A' ' 51' ' ' ILE . 6.2 mm-40 -60.53 -18.59 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.14 110.943 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -40.57 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 72.23 110.891 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -79.05 -16.28 57.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.931 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 51' ' ' ILE . 2.3 tp -61.09 -25.64 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 35.03 110.911 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -92.75 4.44 53.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.848 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -105.33 -24.41 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.935 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.32 -22.98 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.838 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.757 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.66 -11.62 15.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.914 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.54 -38.05 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.076 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -84.44 -27.27 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 64.52 110.863 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 110' ' ' SER . 9.1 tp -70.07 -57.46 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 54.22 110.915 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.65 -45.13 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 72.52 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.63 -31.11 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -88.88 -14.27 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.1 110.871 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.1 tpt -72.79 -56.61 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 73.43 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -69.3 -11.74 61.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -98.12 -30.49 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.963 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.83 -49.47 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.34 111.079 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -95.62 28.24 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.979 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.474 ' OE1' ' HB2' ' A' ' 94' ' ' ALA . 10.4 tm0? -80.93 153.38 27.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.879 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -78.76 83.71 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 44.12 110.899 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.474 ' HB2' ' OE1' ' A' ' 92' ' ' GLN . . . -132.92 -41.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.125 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t 60.04 64.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.11 111.118 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -132.18 174.35 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.116 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.853 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.22 -26.31 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -52.22 -29.95 25.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.24 -52.26 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 62.43 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -56.15 -40.29 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 65.13 110.85 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.63 -27.24 38.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 64.43 111.08 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -76.21 -28.81 57.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 71.34 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -86.53 -35.88 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 74.32 110.884 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.02 -40.15 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 63.15 110.899 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.2 ptp -62.69 -31.95 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.849 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' HG2' ' A' ' 25' ' ' LYS . 14.7 tp -79.02 -25.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.8 m -82.98 -20.68 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.31 111.177 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.05 -37.23 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.496 ' CB ' HD11 ' A' ' 24' ' ' LEU . 64.0 p -54.34 -51.96 63.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.41 110.862 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.675 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.4 t-160 -54.15 -31.25 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.853 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -56.56 -32.15 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.16 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.7 mp -68.0 -24.44 65.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.774 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -95.18 -43.12 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.03 111.067 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 111' ' ' HIS . 25.3 t -56.21 -24.38 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 75.41 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.445 ' CG ' HD11 ' A' ' 75' ' ' LEU . 34.9 m-20 -93.5 -18.93 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.829 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -76.95 -23.89 52.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 71.05 111.055 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.42 -58.68 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.921 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -56.37 -25.1 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.877 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 120' ' ' LEU . 2.4 tm? -87.25 -35.26 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.635 HD12 ' CG1' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -59.51 -29.7 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 61.52 110.927 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -96.29 -33.05 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.875 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.67 -33.16 45.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.078 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.47 HG11 ' HB ' ' A' ' 10' ' ' VAL . 9.5 p -74.47 -30.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.09 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.13 -32.93 74.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.863 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -90.07 -18.91 25.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.911 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.858 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -85.85 -56.19 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 71.11 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -51.67 -46.19 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.89 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.8 p -52.05 -32.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.13 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.1 mt -87.43 -25.37 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 62.53 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -79.74 -24.44 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 54.25 111.095 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.65 -43.46 98.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 60.24 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.13 -26.29 37.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.926 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -110.92 80.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.31 111.122 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.4 p80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.876 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.814 0.34 . . . . 43.15 111.068 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -140.74 135.18 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 74.13 110.912 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -120.74 81.02 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -133.36 151.1 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.826 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 mmm-85 -68.37 93.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.867 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 m -98.87 136.04 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 73.5 111.125 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -96.09 47.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.84 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -114.95 147.45 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.847 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 53' ' ' SER . 1.1 pp -117.84 -18.44 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.24 110.917 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.76 ' O ' HG13 ' A' ' 14' ' ' VAL . 6.2 p -61.95 -39.75 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 60.13 111.151 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.676 ' CB ' HD13 ' A' ' 121' ' ' LEU . 2.7 p90 -72.11 -17.2 62.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 73.21 110.922 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt -81.4 -19.05 43.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -98.85 -39.24 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.52 110.87 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 10' ' ' VAL . 18.1 m -55.71 -30.51 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.11 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.3 tpp -66.28 -43.85 85.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.51 -23.84 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.32 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.679 HD12 ' HB ' ' A' ' 46' ' ' THR . 9.1 tt -82.41 -47.39 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 14' ' ' VAL . 21.5 t -59.59 -37.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.35 111.102 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -74.6 -12.69 60.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.35 -29.15 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 35.15 111.105 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 18' ' ' VAL . 7.8 p -87.7 -21.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.161 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -74.09 -28.0 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.935 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.93 -34.13 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.864 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -80.2 -12.58 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.896 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -61.64 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.877 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.18 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -93.53 16.68 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 51.41 110.886 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -93.02 -50.16 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.891 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -96.02 28.78 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.856 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.37 -36.66 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.623 HD13 ' OH ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -132.99 154.78 81.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 75.51 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.77 168.71 20.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 62.32 112.314 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -158.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 74.02 112.372 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 69.2 49.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 73.52 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.26 -46.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 65.41 112.526 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' VAL . 25.5 m-85 -77.86 -4.14 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 73.43 110.913 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.3 -16.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 73.1 111.143 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.04 -42.59 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.43 111.13 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.2 p -62.65 -19.16 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 73.35 111.155 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 36' ' ' TYR . 98.6 t -60.07 -46.58 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.087 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -43.97 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 39' ' ' VAL . 91.4 t -81.45 -23.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.33 111.146 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -11.71 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 75.31 112.542 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -84.99 -12.93 52.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 75.05 110.951 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.679 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -79.27 -47.07 16.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 75.24 111.113 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 17' ' ' LEU . 1.5 pp -61.78 -47.93 82.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 54.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 51' ' ' ILE . 6.4 ptm180 -68.19 -11.97 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.25 -25.83 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.889 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 50' ' ' LEU . 4.1 pp -97.24 -17.94 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 73.5 110.934 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.3 mt -58.01 -32.09 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 63.41 111.168 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 54.12 112.47 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.764 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -59.03 -25.99 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 62.41 110.863 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.473 HG12 HG21 ' A' ' 69' ' ' ILE . 1.7 t -98.23 -14.92 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.45 111.109 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' HA ' HD12 ' A' ' 58' ' ' LEU . 47.2 m-20 -77.52 -24.49 49.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.877 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.77 -50.29 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 65.32 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -86.95 -2.07 58.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.912 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -49.53 -59.11 7.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 74.53 110.924 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 61.12 112.357 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -95.35 17.68 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.52 110.816 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.908 HD21 ' HB1' ' A' ' 127' ' ' ALA . 3.2 mp -107.69 160.79 25.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 75.34 110.897 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 178.13 4.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 64.13 112.347 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -86.51 71.31 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.85 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -175.1 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 43.15 110.85 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 m -86.64 -25.86 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 71.03 110.83 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -51.36 -43.57 61.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.53 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -63.01 -37.22 86.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 52.32 111.118 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -60.29 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.624 HD12 HD22 ' A' ' 61' ' ' LEU . 15.9 mt -59.11 -48.32 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.117 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.57 -20.9 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.02 110.919 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.49 -16.04 23.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 40.32 112.475 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.501 HG21 ' HG ' ' A' ' 120' ' ' LEU . 19.2 m -96.06 -21.91 17.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.313 . . . . 74.13 111.132 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -86.82 -11.06 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.881 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -35.86 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD11 ' CG ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -79.31 -17.19 55.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.891 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' A' ' 47' ' ' LEU . 1.7 tp -59.2 -26.92 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.892 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -88.37 4.74 45.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 54.22 110.912 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -108.55 -19.38 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.06 -17.19 63.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.03 110.894 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.46 -19.44 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.489 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.0 -34.41 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 53.31 111.089 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -86.89 -32.22 20.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.866 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.513 HD13 ' OG ' ' A' ' 110' ' ' SER . 10.6 tp -64.76 -58.87 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.15 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.632 HG12 HG11 ' A' ' 40' ' ' VAL . 13.0 mt -52.46 -50.74 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.03 111.154 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.29 -24.0 62.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -81.0 -30.13 35.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.881 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 tpp -70.29 -46.66 63.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.22 110.874 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -70.47 -15.65 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.559 HD11 HD23 ' A' ' 98' ' ' LEU . 21.1 tp -98.24 -27.18 14.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.897 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.25 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.53 111.092 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.26 -13.94 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -52.47 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.897 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 95' ' ' VAL . 9.1 m120 -51.3 -48.39 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.872 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 57.25 23.68 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.085 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.1 t -56.76 -23.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.24 111.107 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.8 t -93.23 40.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 71.21 111.161 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t 51.8 71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.879 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD23 HD11 ' A' ' 89' ' ' LEU . 16.0 tp -150.18 33.19 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.979 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -98.6 -58.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.27 -41.97 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.13 110.927 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -62.61 -37.15 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.96 74.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 33.33 111.116 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -61.32 -64.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 63.03 110.901 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -56.45 -26.96 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -75.64 -29.24 59.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 28' ' ' LEU . 7.7 ttm -63.49 -54.3 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.887 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.67 -23.77 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.6 m -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.35 111.172 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.8 -38.81 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 64.24 111.093 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.513 ' OG ' HD13 ' A' ' 83' ' ' LEU . 3.2 m -59.4 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.842 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.6 t60 -53.53 -30.44 41.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 71.43 110.881 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m -58.54 -41.64 86.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 60.42 111.161 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.0 mp -59.32 -26.0 64.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.491 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -92.42 -42.67 9.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.123 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' HIS . 88.6 t -55.82 -35.41 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 55.15 111.178 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.663 ' CG ' HD11 ' A' ' 75' ' ' LEU . 23.8 m-20 -81.6 -12.78 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.848 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -91.85 15.33 13.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 32.1 111.088 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.488 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 3.7 mptt -126.16 -51.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -57.28 -26.09 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.501 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.8 OUTLIER -79.63 -37.44 36.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 54.11 110.939 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.676 HD13 ' CB ' ' A' ' 11' ' ' TYR . 6.7 tp -53.71 -37.5 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 63.41 110.911 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.78 -26.13 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.16 -46.88 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.106 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 10' ' ' VAL . 30.0 m -64.87 -37.09 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 62.44 111.166 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 129' ' ' VAL . 10.1 t0 -54.62 -51.39 65.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.873 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.56 -37.87 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.891 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.908 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -58.01 -45.19 87.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.31 111.119 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -62.37 -17.06 58.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.916 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 125' ' ' ASP . 40.8 t -84.85 -41.02 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.12 111.108 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.48 -36.26 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.44 -26.97 33.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 53.53 111.113 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -74.51 -50.16 19.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.881 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 43.7 mt -53.22 -29.16 30.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.87 166.52 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.25 111.116 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.2 m80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.85 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.799 0.333 . . . . 63.33 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -105.65 114.73 29.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.52 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 mt -130.16 59.56 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.23 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -108.02 126.78 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.877 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -143.99 114.29 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.857 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -175.08 165.98 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.45 111.161 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.36 29.42 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.821 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.49 67.52 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.3 110.88 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -56.35 -31.41 63.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 71.34 110.939 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' A' ' 53' ' ' SER . 19.1 m -66.46 -13.78 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.086 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -35.22 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -51.91 -29.7 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.927 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -86.67 -44.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.063 HG13 ' HB1' ' A' ' 117' ' ' ALA . 25.4 t -59.79 -30.82 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 64.35 111.106 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.9 ttp -71.06 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 63.25 110.891 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.65 -29.71 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.898 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.732 HD12 ' HB ' ' A' ' 46' ' ' THR . 8.7 tt -71.43 -45.85 61.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.933 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 14' ' ' VAL . 85.0 t -56.29 -24.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.17 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -85.54 -49.66 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 64.01 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.768 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.2 p -87.74 -19.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.146 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.825 HD23 ' HD3' ' A' ' 25' ' ' LYS . 2.7 mt -89.7 -28.07 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 43.2 110.912 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.71 -31.83 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.871 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 110' ' ' SER . 2.3 pp -71.47 -29.03 64.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.825 ' HD3' HD23 ' A' ' 22' ' ' LEU . 59.2 mtpt -51.47 -51.87 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.908 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -73.98 -17.84 60.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.904 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.65 -7.48 59.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD21 ' SD ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -51.71 -53.65 36.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.949 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 t -97.56 41.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.835 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -129.93 -63.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.886 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -97.31 159.9 30.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 72.44 110.895 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HD2' HD23 ' A' ' 31' ' ' LEU . 53.6 Cg_endo -69.73 167.51 24.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.263 . . . . 74.33 112.369 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' O ' ' HE2' ' A' ' 87' ' ' MET . 53.8 Cg_endo -69.74 -49.81 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 74.23 112.342 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.81 -17.59 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 72.35 110.884 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.78 9.43 34.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.793 -0.718 . . . . 40.23 112.461 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.33 -25.34 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.365 . . . . 74.0 110.908 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.49 -30.78 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 71.11 111.143 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.9 -22.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 53.3 111.116 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 43' ' ' VAL . 25.9 t -76.43 -35.81 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 54.22 111.093 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.554 HG11 ' CG1' ' A' ' 84' ' ' ILE . 18.3 t -64.61 -19.04 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.104 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -50.15 30.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.895 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -71.27 -11.21 60.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.928 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.606 HG11 HG23 ' A' ' 21' ' ' VAL . 86.1 t -96.11 -24.9 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 63.23 111.185 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -11.62 27.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 72.22 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.804 HD23 ' HD3' ' A' ' 48' ' ' ARG . 16.0 mt -82.73 -17.84 42.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 74.1 110.899 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.732 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.59 -48.82 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.42 111.146 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.727 HD23 HD11 ' A' ' 17' ' ' LEU . 1.8 pp -61.63 -47.54 84.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.898 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.804 ' HD3' HD23 ' A' ' 45' ' ' LEU . 8.7 ptm180 -68.62 -11.93 60.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.859 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -96.66 -21.71 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.903 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.18 -25.58 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.68 HD11 HD23 ' A' ' 76' ' ' LEU . 10.9 mt -55.73 -31.25 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.01 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.15 -10.51 73.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 45.04 112.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.797 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -87.05 -29.82 21.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 62.21 110.864 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.778 HG12 HD13 ' A' ' 69' ' ' ILE . 2.5 t -86.71 -23.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 61.32 111.144 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HA ' HD23 ' A' ' 58' ' ' LEU . 27.6 t0 -72.99 -16.04 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.807 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -71.13 -15.97 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.79 -4.9 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.919 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -47.58 -58.95 6.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 65.12 110.882 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.75 -8.03 22.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 75.3 112.327 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.8 m -117.15 22.79 12.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.31 110.842 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.774 ' CD2' ' HB1' ' A' ' 127' ' ' ALA . 9.4 mt -115.69 159.35 39.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 64.22 110.959 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HG3' HD12 ' A' ' 130' ' ' LEU . 54.3 Cg_endo -69.74 176.25 7.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 75.43 112.366 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.7 m -76.47 -5.05 45.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.89 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.93 -19.09 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.41 110.878 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -112.13 -37.28 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 70.13 110.816 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -52.06 -46.68 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 71.25 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -12.92 60.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 72.45 111.188 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' HB1' ' A' ' 123' ' ' ALA . 1.3 tt0 -81.71 -56.61 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.881 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.778 HD13 HG12 ' A' ' 54' ' ' VAL . 62.9 mt -65.89 -50.56 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.22 111.166 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.756 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.1 tt0 -52.2 -29.51 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.907 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.44 -33.63 7.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 63.31 112.476 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.799 HG21 HD23 ' A' ' 120' ' ' LEU . 90.7 m -70.23 -53.51 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 61.25 111.165 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.27 -25.87 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.891 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -46.53 80.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -75.68 -16.34 60.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.921 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD23 HD11 ' A' ' 51' ' ' ILE . 1.6 tp -58.15 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 65.52 110.869 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -90.56 4.64 50.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -107.66 -25.48 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 54.4 110.912 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -63.76 -18.28 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 45.21 110.891 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.77 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.49 -16.85 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 55.5 110.909 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.16 -34.28 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 62.24 111.048 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -86.13 -29.54 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.924 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.5 tp -68.66 -54.87 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 70.12 110.922 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.554 ' CG1' HG11 ' A' ' 40' ' ' VAL . 43.9 mt -61.07 -54.05 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.5 111.109 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.11 -47.17 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 75.04 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.65 -23.96 67.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.422 ' HE2' ' O ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -68.74 -67.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.884 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.69 -28.42 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -81.94 -31.92 31.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.4 32.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.085 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -54.05 -29.66 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -55.81 110.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -80.69 87.44 5.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 53.35 110.869 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.47 154.85 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.091 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.39 -30.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.25 111.141 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -52.01 143.62 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.32 111.131 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.9 m -95.87 26.05 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 51.53 110.853 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 mt -105.22 19.49 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 62.54 110.931 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -30.61 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.34 -40.75 96.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 53.2 110.856 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.93 -33.27 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.896 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.13 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.131 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -70.07 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -37.06 62.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 61.24 110.893 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -71.47 -26.26 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.933 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.402 ' SD ' HD21 ' A' ' 28' ' ' LEU . 24.2 ttm -69.43 -56.74 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 64.32 110.868 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 25' ' ' LYS . 14.1 tp -59.23 -21.43 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.956 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 m -85.01 -21.64 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 73.34 111.103 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.07 -19.6 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.14 111.103 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.693 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -76.72 -56.95 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.831 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.1 t60 -50.78 -31.26 16.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 72.3 110.834 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.657 HG22 ' OD2' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -53.96 -40.92 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.172 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.4 mp -55.13 -27.19 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.938 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.768 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.1 -44.87 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 72.03 111.067 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' HIS . 30.4 t -56.0 -24.55 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 52.44 111.138 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.657 ' OD2' HG22 ' A' ' 112' ' ' THR . 20.2 m-20 -90.11 -21.17 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.55 110.864 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 1.063 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -81.58 -23.63 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.097 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -68.72 -57.02 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.912 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.5 -27.21 36.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.799 HD23 HG21 ' A' ' 72' ' ' THR . 3.3 tm? -79.16 -37.73 37.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.77 -28.76 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.918 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.74 -31.98 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.878 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 120' ' ' LEU . . . -66.35 -54.3 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.096 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.96 -34.39 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 53.11 111.139 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -59.45 -40.85 88.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.91 -42.14 16.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.895 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.774 ' HB1' ' CD2' ' A' ' 61' ' ' LEU . . . -57.49 -42.04 81.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 53.34 111.091 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -58.4 -21.63 51.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.31 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.7 t -86.52 -38.42 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 73.23 111.121 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.404 HD12 ' HG3' ' A' ' 62' ' ' PRO . 11.9 mt -73.75 -33.19 64.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.19 -25.25 65.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 52.14 111.117 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -58.16 -46.65 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 70.22 110.87 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 pp -53.96 -28.58 38.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 53.31 110.876 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.59 168.37 9.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 71.55 111.101 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 51.3 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 51.43 110.89 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.822 0.344 . . . . 71.01 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -131.51 117.7 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.92 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -118.24 85.78 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.897 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.26 -179.47 5.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 65.11 110.856 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.56 86.99 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.871 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -143.93 -178.32 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 55.11 111.174 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -97.8 30.81 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.844 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.14 128.21 24.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 73.12 110.882 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.4 tp -125.84 -34.77 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 64.33 110.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.645 ' CG2' HG11 ' A' ' 124' ' ' VAL . 11.0 m -65.84 -13.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.21 111.134 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -0.95 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.943 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.89 -52.17 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -67.63 -20.15 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 117' ' ' ALA . 5.5 p -84.61 -27.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 43.41 111.107 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.6 tpp -78.03 -24.23 47.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.84 -23.83 55.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.865 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.09 -44.3 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.543 HG13 ' HB1' ' A' ' 114' ' ' ALA . 58.8 t -53.87 -26.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 63.24 111.139 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -56.86 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.89 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.04 111.124 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.517 ' HA ' HD23 ' A' ' 24' ' ' LEU . 9.6 p -79.17 -8.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.138 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.616 HD12 ' HD3' ' A' ' 25' ' ' LYS . 43.8 tp -92.44 -26.57 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 50.24 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.87 -29.92 62.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.926 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.7 pp -79.52 -2.09 40.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.93 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 107' ' ' LEU . 24.1 mtpt -81.1 -64.78 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -69.73 -23.54 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.77 22.02 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.879 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.2 tm? -85.49 -26.77 26.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 70.31 110.961 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -113.03 50.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.857 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.81 -42.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.1 mt -104.58 159.61 28.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 72.22 110.895 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 168.44 21.57 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 73.12 112.376 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -10.47 28.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 71.21 112.37 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -76.21 -25.24 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -87.89 -18.07 56.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 73.22 112.444 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 40' ' ' VAL . 18.1 m-85 -83.39 -40.28 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 73.13 110.919 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.1 -37.96 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.105 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -72.46 -20.78 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 71.33 111.083 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG12 HG23 ' A' ' 43' ' ' VAL . 95.4 t -90.96 -33.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 71.33 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.868 HG13 HD21 ' A' ' 83' ' ' LEU . 85.6 t -51.93 -29.19 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.03 111.16 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.05 -43.06 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.924 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.59 -28.78 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 71.23 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.611 HG23 HG12 ' A' ' 39' ' ' VAL . 70.6 t -82.78 -18.17 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -16.57 14.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 74.3 112.489 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD23 ' HD3' ' A' ' 48' ' ' ARG . 10.9 mt -84.82 -3.62 58.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 73.12 110.933 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.59 -46.12 11.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 60.32 111.17 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 HD23 ' A' ' 80' ' ' LEU . 1.7 pp -63.73 -47.39 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.935 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.3 ptm180 -67.79 -12.66 61.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.867 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -97.64 -30.4 12.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.918 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 14' ' ' VAL . 3.6 pp -91.19 -19.48 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 51.44 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 48' ' ' ARG . 4.8 mt -54.34 -31.27 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 61.33 111.089 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.02 -19.35 73.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 74.13 112.489 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.574 ' CB ' HG12 ' A' ' 10' ' ' VAL . 36.6 p -67.45 -43.61 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 74.33 110.886 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG12 HG21 ' A' ' 69' ' ' ILE . 11.8 t -84.0 -32.06 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.05 111.134 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -57.15 -32.15 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.49 -13.85 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.835 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -7.93 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 62.1 110.882 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -48.35 -58.37 8.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 73.21 110.899 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -6.98 19.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 73.04 112.31 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -104.5 25.82 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.858 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 69' ' ' ILE . 1.8 mp -98.91 164.09 17.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 75.34 110.931 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.08 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 74.2 112.381 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m 72.09 8.19 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 52.11 110.867 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.4 t -110.51 -35.86 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.859 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -105.98 20.17 19.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 41.23 110.859 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' HA ' HD22 ' A' ' 61' ' ' LEU . 35.3 ttt180 -71.1 -41.93 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.872 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -54.86 -23.31 17.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 111.109 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -58.5 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 53.33 110.887 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 61' ' ' LEU . 21.2 mt -65.36 -51.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 65.1 111.115 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -29.58 18.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.04 -32.58 8.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 60.21 112.519 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.602 HG21 ' HG ' ' A' ' 120' ' ' LEU . 97.6 m -65.46 -51.71 58.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 61.25 111.134 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.83 -18.95 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -45.72 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 116' ' ' ASP . 4.3 pp -75.39 -18.79 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.96 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 75' ' ' LEU . 2.5 tp -59.46 -23.49 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.889 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -93.23 5.05 52.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.25 110.834 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -106.67 -23.59 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.895 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.555 ' OD1' HG22 ' A' ' 112' ' ' THR . 60.4 m-20 -65.26 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.937 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.798 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -100.66 -14.97 17.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.905 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -58.45 -60.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.2 111.081 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -68.17 -19.89 64.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.868 HD21 HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -78.44 -32.87 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.894 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.748 HG13 HD23 ' A' ' 83' ' ' LEU . 22.3 mt -78.98 -28.2 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 50.34 111.133 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.43 -52.25 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 71.43 110.905 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 4.3 tppt? -66.03 -22.36 66.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 55.31 110.937 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.517 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 4.6 tpt -64.94 -51.2 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.864 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -76.23 -14.05 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 71.02 110.854 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.98 -7.71 29.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.927 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.42 -5.55 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 55.24 111.095 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -120.48 -8.56 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.54 110.89 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.86 161.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 64.25 110.922 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -100.39 78.09 2.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.9 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.89 133.99 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -55.88 -25.19 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.1 111.114 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -51.67 141.48 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.159 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -96.84 26.17 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.53 110.899 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.11 20.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -27.02 52.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 63.35 110.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.57 -25.83 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.856 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.35 -43.88 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.897 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.452 ' HB1' ' HG3' ' A' ' 86' ' ' LYS . . . -58.37 -24.96 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.32 111.1 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -64.08 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -52.36 -43.22 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.881 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 53.01 110.942 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 25.9 ttm -65.32 -46.17 81.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.857 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 25' ' ' LYS . 13.3 tp -61.38 -31.57 71.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 73.12 110.939 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.0 m -62.23 -20.97 64.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 51.43 111.181 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -96.42 -24.71 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 62.4 111.127 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.643 ' OG ' HD12 ' A' ' 107' ' ' LEU . 70.7 p -65.58 -49.2 69.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.914 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.81 -20.74 52.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.03 110.848 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' ' 79' ' ' ASP . 6.3 m -66.9 -28.63 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.153 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.2 mp -72.03 -24.52 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 53.51 110.887 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.23 -43.67 7.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 61.22 111.091 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 112' ' ' THR . 3.1 p -57.03 -26.84 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 72.13 111.14 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.476 ' CG ' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -91.88 -10.63 38.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.905 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -91.5 -8.38 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.118 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -49.81 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.965 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -52.49 -34.4 49.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 65.14 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.602 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.6 OUTLIER -67.11 -42.1 85.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 61.44 110.955 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.76 -42.88 62.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -79.54 -33.66 41.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 44.32 110.865 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.82 -58.13 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 62.35 111.102 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.645 HG11 ' CG2' ' A' ' 10' ' ' VAL . 11.1 p -66.83 -25.27 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 65.34 111.12 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.98 -48.46 78.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.844 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.65 -36.77 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 61' ' ' LEU . . . -60.32 -43.05 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 70.11 111.115 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -61.83 -33.41 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 64.23 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.91 -36.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 43.1 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 133' ' ' LEU . 51.5 mt -67.9 -23.48 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 63.1 110.909 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.37 -60.17 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.106 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -56.64 -46.51 80.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.874 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 130' ' ' LEU . 88.0 mt -52.91 -29.33 27.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 71.15 110.943 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.19 158.13 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.077 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.9 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 70.0 110.852 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.831 0.348 . . . . 74.23 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -52.17 156.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 63.54 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.8 25.98 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -84.44 111.46 19.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 72.14 110.84 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -152.58 144.9 23.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.898 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.532 HG23 ' OD2' ' A' ' 7' ' ' ASP . 8.8 t -111.62 165.3 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 61.12 111.152 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.532 ' OD2' HG23 ' A' ' 6' ' ' THR . 1.4 m-20 56.08 25.27 8.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.831 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -93.36 77.42 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 9' ' ' LEU . 7.3 tp -83.26 -35.82 25.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 65.12 110.926 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.626 HG23 HD13 ' A' ' 50' ' ' LEU . 3.7 p -69.74 -29.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 74.23 111.126 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -79.92 -20.92 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.928 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 mt -86.72 -20.82 27.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.83 -18.78 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.664 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 5.3 p -85.99 -27.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 53.51 111.127 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -73.05 -20.41 60.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.53 110.837 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.83 -18.01 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 74.25 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.7 HD13 ' OG1' ' A' ' 46' ' ' THR . 49.8 tp -87.42 -48.54 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 74.13 110.881 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' A' ' 114' ' ' ALA . 24.3 t -58.71 -20.89 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.1 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -88.16 -16.66 32.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.839 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.12 -18.46 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 61.4 111.113 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.727 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.0 p -92.96 -21.32 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 73.43 111.109 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -90.35 -27.91 19.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.904 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.25 -23.87 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 61.02 110.895 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pp -79.15 -30.38 43.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -50.92 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.909 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.73 -24.05 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.924 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.75 -8.81 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.885 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.7 tm? -54.95 -43.9 73.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 53.45 110.916 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 p -105.4 35.09 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.11 110.887 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -131.91 -39.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -126.7 158.4 68.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 74.42 110.885 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.84 17.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 74.02 112.372 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -31.42 20.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 75.42 112.418 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -49.83 -34.42 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.717 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -82.2 -30.31 34.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 75.51 112.52 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.754 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -56.79 -38.16 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 73.42 110.895 -179.817 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.448 ' N ' ' HE1' ' A' ' 87' ' ' MET . 0.3 OUTLIER -64.07 -25.03 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 70.02 111.123 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.5 t -91.57 -16.04 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.096 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 35' ' ' GLY . 22.0 t -90.18 -35.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 44.41 111.127 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 36' ' ' TYR . 58.6 t -59.48 -19.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 55.33 111.154 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -51.68 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 63.22 110.901 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -72.01 -18.42 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 55.33 110.917 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.645 ' O ' HD11 ' A' ' 17' ' ' LEU . 59.9 t -94.56 -19.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 52.12 111.09 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.42 -13.86 21.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 34.14 112.502 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.771 HD23 ' HD3' ' A' ' 48' ' ' ARG . 15.4 mt -85.29 -21.85 28.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 61.14 110.907 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.7 ' OG1' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.42 -49.46 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.13 111.088 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 48' ' ' ARG . 1.6 pp -58.53 -47.58 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.15 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.771 ' HD3' HD23 ' A' ' 45' ' ' LEU . 7.1 ptm180 -70.87 -9.21 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 63.11 110.886 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -97.29 -25.95 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 64.52 110.908 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.626 HD13 HG23 ' A' ' 10' ' ' VAL . 2.3 pp -93.89 -24.52 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.938 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 48' ' ' ARG . 12.8 mt -55.25 -30.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.123 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.39 -15.89 75.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 72.5 112.531 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' HD12 ' A' ' 57' ' ' LEU . 10.4 m -86.38 -22.28 26.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.389 . . . . 73.43 110.872 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.537 HG12 HG21 ' A' ' 69' ' ' ILE . 2.5 t -98.82 -47.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 42.32 111.132 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' HA ' HD23 ' A' ' 58' ' ' LEU . 2.6 t70 -56.85 -33.71 67.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 63.41 110.891 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -15.21 60.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.863 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 53' ' ' SER . 17.8 mt -101.44 10.53 40.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 71.11 110.907 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.33 -58.47 8.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 55.33 110.927 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.74 -6.77 19.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 75.03 112.356 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -90.64 -6.1 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 53.04 110.877 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.712 ' HB3' ' HB1' ' A' ' 127' ' ' ALA . 0.4 OUTLIER -129.08 159.64 67.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 74.54 110.906 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.77 157.58 59.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 60.13 112.325 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -53.17 -34.34 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 71.23 110.833 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -51.57 -29.33 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 63.35 110.847 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -102.87 -19.69 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.903 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -63.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 73.11 110.919 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -29.63 15.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 61.04 111.135 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.34 -57.62 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.537 HG21 HG12 ' A' ' 54' ' ' VAL . 7.2 mt -61.38 -57.0 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.133 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -54.19 -25.51 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.95 -12.55 55.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.721 . . . . 45.35 112.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 75' ' ' LEU . 83.8 m -96.21 -49.6 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.719 0.295 . . . . 61.54 111.158 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -59.32 -27.53 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.913 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -42.87 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -77.04 -16.94 59.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.954 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 51' ' ' ILE . 1.9 tp -57.8 -34.24 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 52.23 110.962 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -85.89 4.8 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.908 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -106.92 -20.45 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.919 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' OD1' HG22 ' A' ' 112' ' ' THR . 78.8 m-20 -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.13 110.877 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.823 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -106.61 -16.64 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.945 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.542 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -60.35 -27.63 67.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 63.41 111.14 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.79 -30.22 13.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.876 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 110' ' ' SER . 6.2 tp -67.9 -35.0 77.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.53 110.864 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.75 ' CG1' HG11 ' A' ' 40' ' ' VAL . 48.3 mt -83.16 -34.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.091 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.32 -21.27 58.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.854 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -86.45 -37.26 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.915 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.448 ' HE1' ' N ' ' A' ' 37' ' ' VAL . 7.6 ptm -67.44 -29.72 69.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.83 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -85.66 -18.27 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 72.54 110.875 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 tp -98.06 -19.3 18.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.934 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.63 -47.96 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.44 111.12 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -55.31 -26.09 38.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 73.23 110.937 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.6 133.95 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.28 75.33 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.05 110.877 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 144.95 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 75.35 111.1 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.57 43.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -153.58 168.41 26.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.12 111.138 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -91.49 47.16 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.833 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.4 tp -105.73 -25.81 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 74.13 110.957 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.7 t -52.46 -33.29 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -52.3 -41.13 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.856 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.15 -34.36 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.936 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.52 -3.96 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 54.21 111.086 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -40.24 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.837 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -22.44 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 74.55 110.919 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.21 -25.26 62.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.941 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.0 ptm -77.06 -32.04 56.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.04 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tt -79.02 -22.93 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.923 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.5 m -74.53 -21.27 59.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.177 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.19 -34.11 26.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.02 111.106 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 83' ' ' LEU . 94.2 p -56.34 -55.16 36.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.854 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.13 -28.31 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 64.12 110.836 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.415 HG22 ' OD1' ' A' ' 79' ' ' ASP . 2.4 m -57.05 -24.32 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 64.42 111.124 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.1 mp -79.43 -21.9 44.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.727 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.04 -42.61 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 65.55 111.07 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.91 -29.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 63.15 111.149 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.679 ' CG ' HD11 ' A' ' 75' ' ' LEU . 2.0 t0 -82.36 -31.81 29.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -66.75 -29.33 69.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.077 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -76.04 -45.68 33.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -63.66 -28.41 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.911 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -42.39 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.882 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.59 -30.41 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.03 110.96 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -29.96 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 60.33 110.879 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.4 -54.49 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 51.52 111.066 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 10' ' ' VAL . 11.1 p -66.47 -29.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.34 111.107 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 129' ' ' VAL . 4.0 t70 -51.85 -55.57 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.896 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.25 -33.18 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 62.12 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.712 ' HB1' ' HB3' ' A' ' 61' ' ' LEU . . . -61.99 -46.85 87.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.02 111.121 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -66.88 -21.24 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 52.53 110.877 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 125' ' ' ASP . 93.3 t -86.96 -38.34 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.32 111.1 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.82 -22.49 42.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.56 -30.21 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.1 111.086 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -55.08 -46.82 75.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 62.04 110.873 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pp -56.76 -28.11 60.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.95 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.9 131.53 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 42.11 111.114 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.881 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.798 0.332 . . . . 65.04 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 62.27 48.85 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.9 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.91 32.23 4.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.03 110.967 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.96 73.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.866 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -87.43 82.94 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 65.43 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.96 97.89 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 63.31 111.161 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -100.88 52.22 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.865 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.23 124.49 26.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 63.33 110.816 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -59.66 -21.45 60.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.5 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.751 HG21 HG11 ' A' ' 124' ' ' VAL . 85.7 t -58.76 -41.92 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 71.42 111.161 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.68 -18.03 57.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.877 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 11' ' ' TYR . 2.4 mm? -74.15 -18.58 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -100.19 -46.12 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.14 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.757 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 9.7 m -51.48 -29.73 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 52.11 111.143 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -66.02 -47.05 75.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -52.21 -29.49 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.888 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.893 HD11 HD23 ' A' ' 47' ' ' LEU . 8.4 tt -81.06 -51.18 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.598 HG13 ' HB1' ' A' ' 114' ' ' ALA . 62.3 t -55.71 -23.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.31 111.152 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -82.9 -55.56 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' ND2' ' A' ' 42' ' ' ASN . . . -51.35 -40.4 59.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.09 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 17' ' ' LEU . 5.4 p -74.64 -27.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.109 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -31.81 73.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.934 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.9 -45.36 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.931 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -74.74 -9.53 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.912 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 107' ' ' LEU . 3.8 mmmt -84.63 -24.22 29.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.902 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -111.33 -28.76 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.901 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -87.92 0.48 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.585 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -51.7 -38.56 55.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.898 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -100.23 42.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.836 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.741 ' HB3' HD23 ' A' ' 31' ' ' LEU . 2.1 tp-100 -130.62 -61.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.921 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.741 HD23 ' HB3' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -112.25 159.96 31.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 73.42 110.882 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.08 22.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 71.14 112.327 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.22 31.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 52.2 112.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.32 -26.53 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.07 -1.37 54.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 33.22 112.481 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -98.57 -24.81 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 75.31 110.908 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.33 -26.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 73.12 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 p -93.04 -22.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 64.51 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 43' ' ' VAL . 82.8 t -74.08 -39.21 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.135 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.55 -24.51 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 61.43 111.09 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.49 -54.22 35.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.885 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.556 ' ND2' ' HB1' ' A' ' 20' ' ' ALA . 1.8 p-10 -70.09 -17.28 63.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 51.12 110.91 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.847 HG12 HD22 ' A' ' 113' ' ' LEU . 57.8 t -82.5 -29.03 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.176 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.46 31.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 53.33 112.453 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.809 HD23 ' HD3' ' A' ' 48' ' ' ARG . 8.7 mt -84.84 -19.56 32.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 64.31 110.925 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.621 ' HB ' HD12 ' A' ' 17' ' ' LEU . 3.9 m -69.31 -51.85 33.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.112 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.893 HD23 HD11 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 40.03 110.936 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.809 ' HD3' HD23 ' A' ' 45' ' ' LEU . 6.9 ptm180 -65.17 -13.94 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.875 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -92.28 -30.58 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 50' ' ' LEU . 1.5 pp -90.46 -25.85 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 62.54 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 48' ' ' ARG . 14.6 mt -55.79 -30.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.093 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.03 -8.56 64.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 30.31 112.473 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.7 p -91.35 -33.16 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 73.33 110.894 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.64 HG12 HG21 ' A' ' 69' ' ' ILE . 12.8 t -92.5 -29.13 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 70.23 111.086 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -55.69 -30.7 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 55.05 110.846 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -79.01 -25.52 43.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD23 HD11 ' A' ' 61' ' ' LEU . 2.9 tp -86.02 -14.05 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.89 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt -50.71 -60.39 5.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 75.35 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.74 -9.45 26.15 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.269 . . . . 72.41 112.326 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t -98.47 2.27 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 44.14 110.862 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.692 HD21 ' HB1' ' A' ' 127' ' ' ALA . 1.5 mp -98.78 160.22 28.41 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 75.34 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.604 ' CG ' HD13 ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.7 -170.62 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 72.2 112.361 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.1 p -97.7 53.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.829 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.8 t -152.86 -46.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -102.03 21.88 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 54.14 110.881 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -86.78 -43.25 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 73.13 110.847 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -62.52 -30.3 71.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.126 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.56 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.855 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.674 HD12 HD22 ' A' ' 61' ' ' LEU . 17.6 mt -62.12 -53.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.14 111.192 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.81 -27.76 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 43.22 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -97.48 -9.15 55.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 75.22 112.448 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 1.014 HG21 HD13 ' A' ' 120' ' ' LEU . 44.9 m -96.07 -52.18 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 45.12 111.129 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -57.86 -23.1 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -40.89 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.922 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -78.83 -15.75 57.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.935 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.4 -21.79 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.925 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -97.24 4.42 50.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.57 -23.37 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.894 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.457 ' OD1' HG22 ' A' ' 112' ' ' THR . 88.0 m-20 -66.65 -20.3 65.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 60.21 110.885 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.38 -14.44 14.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.904 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.36 -33.38 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 60.3 111.124 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -88.72 -29.18 20.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.877 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.3 tp -68.95 -57.95 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.3 mt -52.86 -36.77 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 61.32 111.166 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.37 -40.67 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.901 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -78.7 -16.84 56.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 74.14 110.88 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.23 -51.3 25.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.07 -13.44 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.892 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 tp -98.04 -20.51 17.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 70.41 110.937 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.94 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.082 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.05 28.71 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.876 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 156.63 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -79.26 75.25 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.908 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.61 156.62 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.081 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 p -104.21 -26.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 63.03 111.126 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.1 t -58.41 163.24 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.14 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.6 m -97.87 27.61 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.34 110.867 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.2 tt -80.63 -24.98 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 m -52.14 -30.06 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -51.97 -45.0 64.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -59.87 -45.5 92.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 54.44 110.864 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.83 -26.66 68.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.117 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -62.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -60.07 -41.52 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.887 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -63.22 -25.08 68.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.899 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.5 ttp -68.62 -59.15 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.858 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.2 tt -57.2 -24.18 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.876 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -68.72 -19.83 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.52 111.114 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.66 -31.28 13.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.42 111.128 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.744 ' HA ' HD22 ' A' ' 83' ' ' LEU . 84.9 p -60.16 -51.27 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.857 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -55.31 -25.98 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.925 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.457 HG22 ' OD1' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -61.83 -20.22 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.33 111.134 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.847 HD22 HG12 ' A' ' 43' ' ' VAL . 5.3 mp -81.09 -24.68 37.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 74.22 110.939 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.598 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.08 -39.64 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 63.0 111.095 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.86 -29.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 50.01 111.163 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.748 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -85.03 -44.41 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.898 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.757 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -57.14 -22.86 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 55.34 111.094 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 121' ' ' LEU . 6.9 tptp -73.37 -65.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.867 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -64.18 -22.37 66.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 60.34 110.896 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 1.014 HD13 HG21 ' A' ' 72' ' ' THR . 12.9 tp -72.28 -33.02 67.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 64.44 110.969 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -66.64 -26.48 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 62.03 110.93 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.06 -50.07 13.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.91 -31.0 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.104 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 10' ' ' VAL . 91.3 t -86.68 -37.77 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 53.13 111.114 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -53.69 -51.03 64.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.837 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -71.59 -34.48 69.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 71.22 110.896 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.703 ' HA ' HD12 ' A' ' 130' ' ' LEU . . . -61.39 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.077 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -25.1 59.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.7 t -82.59 -35.17 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 61.54 111.128 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 127' ' ' ALA . 4.4 mt -55.05 -34.16 63.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 62.52 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.92 -53.53 56.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 32.31 111.091 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -56.52 -41.43 76.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.902 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.32 -27.44 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.13 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.95 95.08 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 51.42 111.086 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.9 m170 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.867 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 t0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 65.21 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.3 pt? -102.29 17.61 23.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 70.03 110.906 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.692 HG11 HG21 ' A' ' 124' ' ' VAL . 92.8 t -93.15 -33.72 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.04 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -88.48 0.51 56.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.912 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -85.1 -57.2 3.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 64.24 110.909 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.82 -49.49 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.5 110.876 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 6.4 p -52.23 -28.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.41 111.106 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -62.45 -38.17 88.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.6 -31.16 71.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' HB ' ' A' ' 46' ' ' THR . 8.6 tt -71.39 -50.08 35.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.543 HG13 ' HB1' ' A' ' 114' ' ' ALA . 26.5 t -54.36 -26.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 -48.86 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -24.02 67.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.097 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.574 ' HB ' HG13 ' A' ' 43' ' ' VAL . 9.6 p -91.46 -18.73 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.137 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 tp -81.74 -26.34 34.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.942 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -73.07 -33.02 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.878 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.3 pp -79.89 -2.39 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 54.35 110.924 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -89.68 -19.79 24.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.68 -25.46 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 61.14 110.845 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -80.52 -6.21 57.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.2 110.888 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.558 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.83 -41.36 61.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.12 110.89 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -97.42 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 62.12 110.83 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.54 -72.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 72.45 110.924 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.95 159.36 31.65 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 74.4 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.11 22.47 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 65.42 112.365 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -17.32 37.94 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.696 2.264 . . . . 71.5 112.375 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.575 ' O ' HG12 ' A' ' 37' ' ' VAL . 36.3 tp10 -62.74 -31.9 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.23 110.893 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.37 -21.08 42.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 72.53 112.491 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.93 -27.74 60.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.952 0.406 . . . . 71.35 110.912 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 34' ' ' GLU . 10.5 p -53.64 -28.89 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.42 111.109 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -87.81 -24.32 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.01 111.097 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.5 t -72.78 -42.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.144 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG11 HG12 ' A' ' 84' ' ' ILE . 40.7 t -54.86 -25.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.164 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.65 -55.31 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.904 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -70.16 -11.63 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 64.53 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 39' ' ' VAL . 85.3 t -96.07 -24.29 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.25 111.109 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.05 -10.51 29.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 75.24 112.516 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD23 ' HD3' ' A' ' 48' ' ' ARG . 11.9 mt -91.32 -4.03 56.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 60.42 110.921 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.686 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.34 -25.12 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.165 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.648 ' HA ' HD23 ' A' ' 50' ' ' LEU . 3.1 pp -87.2 -42.85 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.748 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.2 ptm180 -64.42 -16.2 61.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.15 110.912 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -33.1 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.03 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.648 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -80.72 -26.21 37.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.906 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' A' ' 76' ' ' LEU . 19.1 mt -59.92 -30.32 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.116 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.91 -2.21 76.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 72.41 112.481 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -31.36 16.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 70.24 110.845 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG12 HG21 ' A' ' 69' ' ' ILE . 11.6 t -87.31 -25.4 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.161 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.98 -28.11 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.835 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.5 -27.21 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.861 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.16 -12.86 42.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.953 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 61' ' ' LEU . 1.5 mt -51.37 -58.86 9.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 74.03 110.945 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.8 -6.22 18.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 72.42 112.344 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -104.74 21.06 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.848 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -129.55 160.35 64.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 62.23 110.923 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 75.45 112.316 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -107.77 53.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.91 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -144.94 -42.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -87.64 -19.03 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 54.31 110.863 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.544 ' N ' HD11 ' A' ' 61' ' ' LEU . 7.2 tmm_? -53.21 -38.29 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 54.23 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -20.49 33.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.141 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 123' ' ' ALA . 1.3 tm-20 -85.81 -48.62 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.404 HG21 HG12 ' A' ' 54' ' ' VAL . 8.6 mt -69.58 -56.76 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 45.45 111.157 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -15.53 58.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.901 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.445 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -99.26 -20.87 16.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 63.04 112.521 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.691 HG21 ' HB2' ' A' ' 120' ' ' LEU . 55.1 m -96.0 -42.59 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 74.24 111.128 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.99 -16.54 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 61.43 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -37.75 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -83.06 -16.7 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.959 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.497 ' HB3' HD11 ' A' ' 51' ' ' ILE . 3.2 tp -59.51 -22.98 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.4 110.913 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -95.31 4.48 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 61.14 110.933 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -107.27 -23.27 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -66.62 -20.21 65.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.789 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.7 -15.47 14.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 55.13 110.879 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.553 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -61.05 -33.66 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 71.21 111.136 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -89.47 -26.06 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.7 tp -72.03 -49.86 33.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 62.01 110.935 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.516 HG12 HG11 ' A' ' 40' ' ' VAL . 17.3 mt -65.85 -47.79 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 23.23 111.123 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -56.61 -25.48 53.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.898 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.43 -22.77 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.914 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.7 tpp -71.07 -55.1 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 70.3 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.16 -15.0 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.9 tp -98.09 -25.54 14.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.923 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.6 -52.04 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 75.2 111.106 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.65 -18.93 65.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 94' ' ' ALA . 1.3 tm0? -52.72 155.27 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.915 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -73.99 75.86 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.869 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' HB2' ' NE2' ' A' ' 92' ' ' GLN . . . -109.02 129.11 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 30.44 111.116 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.4 t -105.42 75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.119 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.5 t -156.82 156.56 33.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 71.21 111.192 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.38 -31.27 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.05 110.832 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.39 -25.49 49.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 62.44 110.922 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.6 t -53.93 -28.18 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 40.21 110.852 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -81.83 -40.83 21.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 65.03 110.851 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -68.95 -27.73 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.906 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 -4.46 44.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 65.35 111.101 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.83 -33.09 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 63.41 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -86.48 -24.23 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.878 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -73.2 -46.49 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 83' ' ' LEU . 4.0 ptp -51.91 -39.42 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.897 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.45 -35.22 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 62.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -21.18 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.105 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.17 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 74.33 111.102 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.708 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -58.85 -56.71 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 52.33 110.854 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 115' ' ' VAL . 9.6 t60 -52.01 -30.61 26.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.863 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.613 HG22 ' OD2' ' A' ' 116' ' ' ASP . 1.6 m -53.51 -41.0 65.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.789 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -59.8 -25.78 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.945 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -92.3 -45.12 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.42 111.091 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 111' ' ' HIS . 22.9 t -57.16 -34.12 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 61.23 111.123 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.613 ' OD2' HG22 ' A' ' 112' ' ' THR . 43.4 m-20 -85.94 -4.73 59.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.929 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -96.62 -34.89 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.106 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.739 ' HA ' HD23 ' A' ' 121' ' ' LEU . 2.1 mptp? -58.15 -34.48 70.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 2.9 m-20 -82.42 -18.27 42.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.871 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.691 ' HB2' HG21 ' A' ' 72' ' ' THR . 2.8 tm? -83.28 -34.69 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.929 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.739 HD23 ' HA ' ' A' ' 118' ' ' LYS . 1.2 pp -65.36 -30.06 70.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.917 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -95.6 -26.05 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.886 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 68' ' ' GLU . . . -59.31 -52.87 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.098 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.692 HG21 HG11 ' A' ' 10' ' ' VAL . 19.0 t -65.16 -32.78 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.106 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 129' ' ' VAL . 3.4 m-20 -56.2 -25.64 47.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 65.25 110.851 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.703 ' O ' HD23 ' A' ' 130' ' ' LEU . 9.7 mt-30 -92.42 -21.55 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.886 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.43 -37.6 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.32 111.086 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.8 -45.23 71.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 125' ' ' ASP . 88.4 t -63.74 -32.08 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.21 111.093 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 126' ' ' GLN . 2.7 mm? -70.69 -27.03 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 53.23 111.089 179.784 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.815 0.341 . . . . 54.34 110.82 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.34 -29.65 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.936 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 54' ' ' VAL . 93.4 t -56.43 -25.85 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.112 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.15 -21.82 18.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.908 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 11' ' ' TYR . 1.9 mm? -71.93 -20.09 61.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.932 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -98.84 -46.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.876 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.728 HG22 ' HB1' ' A' ' 117' ' ' ALA . 5.7 p -53.11 -27.72 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.107 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -45.16 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.09 -22.93 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.873 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' VAL . 16.1 tp -79.35 -56.31 4.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.729 HG13 ' HB1' ' A' ' 114' ' ' ALA . 21.2 t -65.49 -21.57 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.103 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -88.59 -21.28 24.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.43 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 65.2 111.114 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.721 HG11 ' HB2' ' A' ' 114' ' ' ALA . 10.5 p -93.21 -14.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 71.21 111.119 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.4 tp -85.29 -25.96 26.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.44 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.42 -27.35 60.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.682 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.7 pp -86.58 -1.71 57.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 43.32 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 107' ' ' LEU . 9.0 mtpm? -90.8 -11.85 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.86 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -111.88 -24.17 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.87 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.45 12.96 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 61.24 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -67.22 -38.3 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 61.12 110.927 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -105.53 39.57 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.98 11.25 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.797 HD11 ' CE1' ' A' ' 36' ' ' TYR . 2.2 pp -179.66 156.33 0.79 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.706 . . . . 72.54 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.4 21.75 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.258 . . . . 74.21 112.32 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -8.0 22.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 64.32 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.68 -22.68 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 52.13 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.39 3.04 57.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 54.21 112.496 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.797 ' CE1' HD11 ' A' ' 31' ' ' LEU . 1.5 m-85 -108.6 -26.35 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 73.5 110.921 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.24 -26.74 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 73.5 111.167 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 t -93.15 -20.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 70.25 111.128 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 43' ' ' VAL . 63.5 t -75.07 -37.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG11 HG12 ' A' ' 84' ' ' ILE . 21.9 t -56.82 -23.85 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 65.3 111.117 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.21 -54.06 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 44.34 110.851 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.82 -23.31 61.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 64.52 110.903 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 39' ' ' VAL . 87.0 t -81.17 -24.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.078 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.32 -13.49 24.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.34 112.52 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.8 HD23 ' HD3' ' A' ' 48' ' ' ARG . 7.6 mt -83.37 -10.84 58.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 71.33 110.873 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -52.39 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.51 111.163 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 pp -56.83 -49.17 76.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.943 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.8 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.5 ptm180 -64.98 -14.41 60.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.88 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -91.17 -28.28 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.851 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD11 HE22 ' A' ' 73' ' ' GLN . 1.2 pp -91.94 -31.78 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.91 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.592 HD11 HD23 ' A' ' 76' ' ' LEU . 18.7 mt -57.02 -26.55 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.129 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.54 -1.82 78.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 70.33 112.528 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.4 -33.73 8.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 71.13 110.838 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.679 HG12 HG21 ' A' ' 69' ' ' ILE . 10.5 t -88.43 -29.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 73.33 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.71 -38.1 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -27.05 63.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.866 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.7 mt -98.13 16.58 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 55.21 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.2 mt -51.61 -58.98 8.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 64.33 110.953 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 74.32 112.373 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 t -84.0 -6.48 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.02 110.857 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' CB ' ' HB1' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -126.84 159.99 61.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 73.33 110.881 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.9 Cg_endo -69.74 159.36 53.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.262 . . . . 65.25 112.342 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -57.78 -23.32 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.834 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 t -50.8 -38.49 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.841 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.651 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 49.7 m -112.24 -27.67 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 71.43 110.87 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 69' ' ' ILE . 15.6 ttt180 -51.06 -57.6 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -57.68 -21.7 41.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 111.125 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -84.03 -35.88 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.14 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.679 HG21 HG12 ' A' ' 54' ' ' VAL . 6.8 mt -70.93 -48.95 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.143 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -56.47 -29.62 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.849 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.11 -37.77 6.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 55.41 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.719 HG21 HD23 ' A' ' 120' ' ' LEU . 65.2 m -70.16 -52.32 24.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.731 0.301 . . . . 73.53 111.176 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.474 HE22 HD11 ' A' ' 50' ' ' LEU . 3.7 mm100 -63.23 -22.51 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.68 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 52.12 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.56 -15.49 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.592 HD23 HD11 ' A' ' 51' ' ' ILE . 1.9 tp -59.0 -25.45 63.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.53 4.85 53.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -111.19 -21.59 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.942 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.0 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.872 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.795 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.89 -20.36 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -58.03 -29.91 65.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.22 111.106 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -90.91 -31.82 16.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.871 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.5 tp -65.75 -51.42 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.925 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.484 HG12 HG11 ' A' ' 40' ' ' VAL . 33.5 mt -60.13 -40.77 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 43.42 111.149 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.16 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.925 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -75.83 -19.78 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.913 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 26.5 tpp -75.39 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.886 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -21.78 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp -94.64 -28.5 15.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 63.52 110.95 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -53.48 -42.84 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 52.22 111.086 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -108.5 28.78 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.58 167.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.922 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.96 -35.16 66.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.56 109.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 55.14 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.3 56.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 71.25 111.102 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.718 HG23 ' H ' ' A' ' 98' ' ' LEU . 14.7 t -93.43 172.83 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.107 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -96.75 29.0 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.876 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.718 ' H ' HG23 ' A' ' 96' ' ' THR . 1.9 tt -115.7 -23.76 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 55.33 110.946 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.1 -40.2 60.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.21 -40.86 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 62.13 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.53 -34.57 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 64.22 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.85 -24.98 64.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 72.54 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.414 ' HG3' HD11 ' A' ' 28' ' ' LEU . 10.9 tptt -57.2 -61.87 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.859 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -65.17 -28.68 69.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.41 -28.14 63.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.5 ttp -67.23 -55.11 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.4 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.9 tt -57.11 -24.58 55.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.889 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -68.0 -22.6 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 60.44 111.103 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -90.83 -36.65 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 61.14 111.077 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.682 ' CB ' HD11 ' A' ' 24' ' ' LEU . 98.1 p -56.48 -53.87 52.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 73.11 110.846 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -56.1 -25.05 44.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.1 m -62.54 -17.81 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 62.51 111.137 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.5 mp -83.27 -25.86 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 64.44 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.729 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.29 -36.41 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.23 111.105 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.56 -29.24 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.45 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -85.87 -32.91 21.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 60.24 110.889 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -58.15 -28.15 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.086 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.86 -48.14 26.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.77 -24.44 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 64.01 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.719 HD23 HG21 ' A' ' 72' ' ' THR . 2.8 tm? -84.24 -44.19 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 121' ' ' LEU . 13.3 tp -54.02 -26.97 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.939 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -88.18 -26.5 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.51 110.877 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.64 -50.04 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 120' ' ' LEU . 15.5 m -69.34 -31.61 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 63.14 111.109 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 129' ' ' VAL . 20.4 t70 -56.5 -43.88 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.871 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -75.08 -27.7 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.31 110.924 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 65' ' ' SER . . . -74.17 -38.81 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 71.43 111.066 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -64.38 -24.87 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 125' ' ' ASP . 83.3 t -82.6 -39.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.54 111.128 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.8 mt -78.62 -24.96 45.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 60.04 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.08 179.792 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.876 0.369 . . . . 74.52 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.0 pp -134.26 6.83 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.926 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.963 HG21 HG21 ' A' ' 124' ' ' VAL . 5.9 m -93.32 -16.79 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 50.3 111.127 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.501 ' HB2' HD12 ' A' ' 121' ' ' LEU . 8.3 p90 -95.01 -15.7 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.957 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -79.48 -25.02 41.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 75.55 110.951 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -91.66 -43.61 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.904 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.814 HG22 ' HB1' ' A' ' 117' ' ' ALA . 8.4 p -54.66 -28.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.42 111.139 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.3 tpp -72.26 -42.97 65.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.872 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 62.04 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 47' ' ' LEU . 4.4 tt -64.78 -54.38 32.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 114' ' ' ALA . 47.1 t -49.53 -51.31 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 52.03 111.131 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -66.32 -24.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.55 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.22 -29.15 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 45.53 111.084 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 110' ' ' SER . 7.2 p -93.24 -18.2 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 50.04 111.123 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -20.01 58.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 60.12 110.887 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.23 -25.68 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.929 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.1 pp -93.06 -1.04 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.881 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 107' ' ' LEU . 8.4 mtpm? -91.18 -49.52 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 65.05 110.842 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -75.84 -25.46 56.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 65.41 110.882 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -86.97 0.35 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 62.04 110.927 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 63.12 110.947 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -98.89 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.869 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -138.72 -74.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.52 159.19 64.7 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.644 0.735 . . . . 61.3 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.53 21.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 72.23 112.339 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.59 23.98 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 71.21 112.373 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -89.83 -11.59 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 62.32 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.28 -10.57 54.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 33.11 112.502 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.97 -33.62 22.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 73.13 110.892 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 p -50.7 -39.37 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 71.04 111.12 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.61 -33.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 43' ' ' VAL . 37.1 t -70.07 -35.13 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 64.41 111.125 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.576 HG11 HG12 ' A' ' 84' ' ' ILE . 66.3 t -54.08 -25.06 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 63.41 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -57.94 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 70.14 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -71.51 -10.43 59.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 62.02 110.892 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 HD22 ' A' ' 113' ' ' LEU . 89.2 t -96.02 -23.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.21 111.126 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.83 -21.27 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 61.12 112.455 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.817 HD23 ' HD2' ' A' ' 48' ' ' ARG . 19.3 mt -82.01 -1.45 48.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 73.14 110.896 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.498 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -85.69 -49.21 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 61.32 111.135 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.745 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 pp -62.5 -50.53 71.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.903 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.817 ' HD2' HD23 ' A' ' 45' ' ' LEU . 7.1 ptp85 -64.81 -14.62 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.846 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -91.28 -26.65 18.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.897 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -93.59 -29.24 15.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.889 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 48' ' ' ARG . 19.2 mt -56.22 -28.8 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.116 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.27 -8.13 83.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 61.42 112.512 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.504 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -99.38 -27.18 13.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 72.31 110.849 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.585 HG12 HG21 ' A' ' 69' ' ' ILE . 3.1 t -92.62 -24.46 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.4 111.16 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -73.95 -35.77 64.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.878 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -76.18 -7.29 54.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.856 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.5 6.67 17.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.945 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.539 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -54.13 -57.79 16.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 34.42 110.936 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.76 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 54.41 112.362 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -92.53 -2.46 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 63.3 110.836 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.618 HD13 ' OG ' ' A' ' 65' ' ' SER . 0.4 OUTLIER -127.27 160.23 61.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 73.44 110.885 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 172.0 13.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 71.34 112.297 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.34 -31.07 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.856 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.2 t -51.55 -30.6 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 73.52 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.618 ' OG ' HD13 ' A' ' 61' ' ' LEU . 10.4 p -111.62 -29.93 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.898 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.5 ttp85 -51.34 -53.25 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.904 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -59.29 -28.6 66.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 53.42 111.158 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -73.75 -60.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 53.23 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.585 HG21 HG12 ' A' ' 54' ' ' VAL . 3.4 mt -50.9 -54.36 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.02 111.128 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -21.56 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.886 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.49 -15.66 46.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.51 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 ' HG ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -96.54 -44.12 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 73.15 111.157 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.673 ' OE1' HD11 ' A' ' 120' ' ' LEU . 4.6 mm100 -64.76 -15.05 61.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 53.5 110.954 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -41.33 12.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 76' ' ' LEU . 4.4 pp -79.26 -19.54 50.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.939 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 75' ' ' LEU . 2.5 tp -58.75 -28.55 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.05 110.883 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -90.05 4.38 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.882 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -108.7 -19.6 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.26 -17.64 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 60.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.779 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.21 -18.9 13.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 43.42 110.964 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.508 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.89 -35.85 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 65.51 111.105 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -86.38 -32.28 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.747 HD22 ' HA ' ' A' ' 110' ' ' SER . 10.4 tp -64.21 -52.44 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.576 HG12 HG11 ' A' ' 40' ' ' VAL . 18.1 mt -62.21 -51.5 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 31.31 111.162 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.42 -27.29 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.926 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -88.45 -21.6 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.876 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 28.1 mmm -68.96 -66.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 70.44 110.917 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -23.49 30.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.9 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.6 tp -87.91 -24.4 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 63.41 110.893 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.21 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 55.32 111.111 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -18.75 65.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 50.32 110.875 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.69 143.02 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.946 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -75.39 72.89 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.0 139.36 30.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 64.14 111.097 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.75 45.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 62.25 111.108 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 98' ' ' LEU . 11.0 t -126.3 25.19 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.51 111.161 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 58.09 43.86 20.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.849 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 96' ' ' THR . 23.3 mt -125.59 25.78 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 61.31 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.8 t -88.95 -31.34 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -84.77 -33.82 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 70.23 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.75 -42.04 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 64.11 110.886 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.28 -26.09 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 70.44 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.409 ' HG3' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.36 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.34 110.916 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -57.74 -39.1 76.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.891 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -67.39 -25.26 65.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.916 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.7 ttm -68.29 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.879 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.1 tt -59.94 -27.36 66.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 52.42 110.92 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.4 m -67.17 -24.64 65.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 70.04 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.21 -40.55 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 63.05 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.747 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.2 m -57.9 -53.46 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.864 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.55 -27.04 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.489 ' HA ' HG12 ' A' ' 115' ' ' VAL . 3.1 m -58.25 -29.44 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.25 111.104 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.805 HD22 HG12 ' A' ' 43' ' ' VAL . 6.1 mp -71.74 -23.9 61.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.938 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -94.41 -44.39 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 63.21 111.096 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 112' ' ' THR . 4.2 p -57.84 -26.67 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.123 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CG ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -91.07 -9.19 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.876 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.814 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -90.26 -18.63 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 74.25 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -76.22 -59.43 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.934 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -51.72 -29.69 19.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.673 HD11 ' OE1' ' A' ' 73' ' ' GLN . 1.2 tt -71.22 -41.61 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.92 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 11' ' ' TYR . 2.4 tp -52.82 -30.86 35.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.933 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.23 -27.43 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.86 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.38 -57.28 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.51 111.074 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.963 HG21 HG21 ' A' ' 10' ' ' VAL . 8.9 p -67.13 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 64.44 111.111 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -51.68 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 72.52 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.18 -39.33 78.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.3 -35.51 65.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.21 111.102 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -24.34 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 54.32 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.97 -27.79 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.125 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.86 -25.27 28.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.939 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 61.05 111.085 179.808 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.863 0.363 . . . . 72.5 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.33 25.05 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.878 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.568 HG21 HG21 ' A' ' 124' ' ' VAL . 44.5 t -92.22 -19.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 53.44 111.139 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.1 -33.93 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.52 110.911 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.2 -29.13 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.907 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -96.72 -55.43 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 52.03 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.968 HG13 ' HB1' ' A' ' 117' ' ' ALA . 24.6 t -50.82 -30.84 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 70.24 111.155 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.6 ttp -60.69 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 54.24 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.68 -30.98 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.8 tp -67.56 -45.58 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.955 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.748 HG13 ' HB1' ' A' ' 114' ' ' ALA . 60.5 t -64.94 -21.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 62.25 111.142 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.78 -52.65 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.908 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.36 64.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.51 111.112 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.538 HG23 HG11 ' A' ' 43' ' ' VAL . 8.9 p -83.15 -10.89 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.161 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.36 -26.51 21.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.908 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -71.2 -43.05 68.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 54.41 110.929 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.763 HD23 HG21 ' A' ' 43' ' ' VAL . 4.6 pp -61.83 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.906 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' N ' HD12 ' A' ' 24' ' ' LEU . 28.4 mtpp -60.33 -20.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.902 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -101.18 -16.51 17.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.837 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -89.64 9.97 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -69.38 -38.28 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 64.42 110.898 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.7 t -116.06 28.16 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.837 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.34 -40.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.51 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -115.41 159.21 39.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 72.51 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.68 23.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 71.51 112.386 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.67 20.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.276 . . . . 73.43 112.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.745 ' O ' HG12 ' A' ' 37' ' ' VAL . 19.9 tt0 -52.73 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 52.23 110.876 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.64 -30.67 14.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 32.22 112.483 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.747 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -55.3 -45.89 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 71.24 110.965 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 34' ' ' GLU . 3.9 p -59.66 -18.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.083 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.62 -22.47 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 61.55 111.186 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 43' ' ' VAL . 46.6 t -89.08 -40.92 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 61.21 111.154 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 36' ' ' TYR . 22.0 t -56.37 -24.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 61.42 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.03 -55.85 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 64.34 110.889 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -67.62 -21.81 65.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 64.54 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.763 HG21 HD23 ' A' ' 24' ' ' LEU . 91.6 t -79.94 -26.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 64.5 111.124 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -9.24 32.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 71.41 112.475 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' HD2' ' A' ' 48' ' ' ARG . 1.1 mt -86.11 -8.84 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 73.42 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.53 -47.1 14.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 65.25 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 pp -61.13 -48.11 83.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.955 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.771 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -67.58 -12.39 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.846 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -94.51 -26.93 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.11 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 50' ' ' LEU . 1.9 pp -95.54 -23.62 17.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 48' ' ' ARG . 9.2 mt -53.95 -31.86 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.139 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.44 -20.79 70.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 62.51 112.505 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.0 p -73.38 -45.77 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 74.42 110.872 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 HD13 ' A' ' 69' ' ' ILE . 2.9 t -82.33 -16.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 72.22 111.12 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.08 -26.04 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 30.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.7 -29.18 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 61.4 110.881 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.39 18.94 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 65.12 110.904 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -50.42 -58.22 10.55 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.596 0.712 . . . . 61.04 110.905 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.82 -6.64 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 73.54 112.348 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -92.03 13.98 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.122 HD22 ' HB1' ' A' ' 127' ' ' ALA . 11.1 mt -103.79 154.62 37.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 71.33 110.927 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.74 179.21 3.84 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 44.33 112.332 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.83 64.24 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.829 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -168.51 -49.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.14 110.858 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -26.64 22.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 73.44 110.856 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -56.89 -45.21 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.23 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -19.29 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 55.43 111.135 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -78.2 -60.23 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 71.11 110.909 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.681 HD12 ' CD1' ' A' ' 61' ' ' LEU . 76.7 mt -63.65 -51.52 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.09 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.01 -24.06 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.914 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 -10.15 47.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 72.45 112.54 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 120' ' ' LEU . 99.6 m -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 62.52 111.111 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.466 ' HB3' HG23 ' A' ' 51' ' ' ILE . 5.2 mm100 -55.12 -27.19 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.943 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -42.25 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.848 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.745 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -77.15 -17.06 58.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 62.12 110.934 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 HD11 ' A' ' 51' ' ' ILE . 1.7 tp -59.58 -25.63 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 63.14 110.935 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -90.24 4.79 49.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 70.24 110.908 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -107.64 -22.78 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 60.52 110.913 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.47 -18.3 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.854 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.769 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -110.19 -17.64 13.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.901 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.09 -27.77 65.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 65.53 111.082 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.99 -31.27 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 74.41 110.896 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 110' ' ' SER . 5.7 tp -67.1 -50.55 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.926 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.8 mt -64.05 -55.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.107 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -52.03 -47.39 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.922 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -65.97 -24.17 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.919 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -68.88 -65.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.874 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -54.45 -27.1 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -78.37 -30.08 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.8 -55.49 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.079 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -57.35 -23.92 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 71.02 110.888 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.92 141.16 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.912 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -69.92 84.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.914 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.69 95.54 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 42.5 111.106 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.32 -24.96 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 62.32 111.136 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -52.58 144.66 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 64.05 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.67 -23.65 52.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.887 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 98' ' ' LEU . 1.8 tt -53.29 -28.29 27.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.932 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -50.63 60.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.886 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -55.24 -41.77 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 74.24 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 61.3 110.88 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.39 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.22 111.072 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -30.09 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 61.53 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -96.32 -25.7 15.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.12 110.832 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.17 -26.24 66.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.516 ' HG3' HD21 ' A' ' 28' ' ' LEU . 6.4 ptm -72.35 -35.33 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.838 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.5 tt -77.64 -21.13 52.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.967 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.8 m -77.09 -20.36 55.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 52.32 111.117 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.0 -26.15 21.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 51.32 111.108 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.765 ' HA ' HD22 ' A' ' 83' ' ' LEU . 94.5 p -61.04 -54.76 40.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 75.24 110.863 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.38 -26.2 39.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.849 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.488 ' HA ' HG12 ' A' ' 115' ' ' VAL . 1.5 m -59.8 -20.89 59.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 63.2 111.153 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.5 mp -80.98 -24.06 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 63.15 110.93 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.748 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.22 -48.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.158 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 112' ' ' THR . 8.8 p -51.37 -29.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 61.4 111.082 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.745 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.25 -44.32 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.891 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.968 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -58.49 -26.46 63.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.114 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.28 -42.73 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 64.04 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.52 -27.66 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.668 ' HB2' HG21 ' A' ' 72' ' ' THR . 3.4 tm? -75.67 -29.83 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.961 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.28 -24.71 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.73 -42.48 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 71.3 110.858 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.98 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 120' ' ' LEU . 7.2 p -89.5 -25.11 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 129' ' ' VAL . 35.3 t70 -54.77 -31.36 58.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 60.33 110.835 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -95.74 -38.53 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 1.122 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 33.41 111.068 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -27.53 69.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.876 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 125' ' ' ASP . 97.2 t -75.31 -41.33 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.117 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.6 mt -75.66 -29.5 59.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 54.31 110.868 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 72.0 111.085 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.818 0.342 . . . . 74.54 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.5 pt? -131.34 4.45 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 51.1 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.67 HG21 HG11 ' A' ' 124' ' ' VAL . 16.2 m -93.34 -6.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 63.21 111.143 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -95.07 -8.34 36.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.916 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.52 -49.56 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.902 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -68.02 -22.86 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.612 ' HA ' HD22 ' A' ' 50' ' ' LEU . 9.2 p -80.26 -29.07 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.34 111.144 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.4 ttp -69.7 -30.78 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 75.42 110.845 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 43.44 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.689 HD12 ' HB ' ' A' ' 46' ' ' THR . 5.2 tt -69.32 -52.28 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 64.33 110.901 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 14' ' ' VAL . 35.9 t -52.34 -28.75 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.17 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -36.49 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 70.02 110.842 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.71 -22.5 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 62.55 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' A' ' 43' ' ' VAL . 10.6 p -93.44 -18.84 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 62.25 111.084 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' HD3' ' A' ' 25' ' ' LYS . 5.7 mt -82.88 -30.03 28.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.904 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.72 -31.76 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pp -81.64 -11.9 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.904 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HD3' HD23 ' A' ' 22' ' ' LEU . 23.7 mtpp -76.85 -62.75 1.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 51.52 110.919 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.66 -18.82 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 45.15 110.854 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.41 -18.84 59.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -50.11 -38.76 40.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 54.21 110.902 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -99.37 42.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -153.22 -74.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 72.12 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.43 159.26 61.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 44.23 110.913 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.39 21.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 72.31 112.343 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 75.44 112.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -95.03 24.08 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 71.43 110.837 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -120.92 -16.84 4.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 65.15 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.757 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.0 m-85 -95.1 -21.05 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 74.54 110.915 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.414 HG13 HG23 ' A' ' 38' ' ' VAL . 8.3 p -51.51 -34.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.41 111.152 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 37' ' ' VAL . 21.2 t -85.23 -23.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 65.14 111.158 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.711 HG12 ' CG2' ' A' ' 43' ' ' VAL . 20.8 t -78.14 -35.67 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.111 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 36' ' ' TYR . 26.4 t -53.35 -27.56 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 64.25 111.143 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.41 -57.54 9.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 61.31 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.45 -37.66 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.903 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.711 ' CG2' HG12 ' A' ' 39' ' ' VAL . 86.4 t -62.82 -26.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 65.12 111.125 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.27 -9.96 30.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 61.31 112.491 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.695 HD23 ' HD2' ' A' ' 48' ' ' ARG . 6.6 mt -89.05 -16.21 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 61.44 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.689 ' HB ' HD12 ' A' ' 17' ' ' LEU . 9.4 m -76.49 -43.89 37.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.153 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 48' ' ' ARG . 2.2 pp -62.44 -48.13 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 52.13 110.88 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.736 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.5 ptp180 -67.49 -12.48 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.4 110.84 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.63 -30.52 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.4 110.859 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.612 HD22 ' HA ' ' A' ' 14' ' ' VAL . 4.0 pp -91.35 -21.12 21.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.905 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.1 mt -55.22 -31.93 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 42.35 111.141 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.13 -14.58 71.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.507 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.69 -38.42 39.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 75.1 110.821 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.566 HG12 HG21 ' A' ' 69' ' ' ILE . 9.2 t -83.92 -25.78 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.67 -24.97 65.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.914 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.8 -17.06 61.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.563 HD11 HG13 ' A' ' 54' ' ' VAL . 3.3 pp -116.89 -13.14 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.895 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 tp -48.99 -57.96 9.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 62.11 110.899 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.77 -8.26 23.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.716 2.277 . . . . 70.12 112.356 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.3 t -101.68 18.55 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 63.51 110.826 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' A' ' 127' ' ' ALA . 2.5 mp -105.38 160.6 25.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 73.32 110.91 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 75.31 112.307 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.4 p -77.07 67.48 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 t -168.69 -53.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.893 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -96.01 22.53 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 62.44 110.851 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -89.15 -43.74 10.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.855 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -64.57 -23.26 67.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.131 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.02 -59.33 4.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.639 HD12 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -65.77 -46.78 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 64.42 111.173 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -52.58 -35.56 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.865 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.59 -37.84 7.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.471 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.664 ' CB ' HD23 ' A' ' 120' ' ' LEU . 97.5 m -61.59 -52.51 64.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 70.43 111.135 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.37 -21.52 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -48.5 11.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.52 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.683 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -72.74 -13.83 61.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.894 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 51' ' ' ILE . 1.5 tp -62.62 -16.35 56.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.929 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -101.14 5.95 42.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -106.32 -33.47 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.951 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.86 -27.37 29.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.02 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.823 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -101.44 -14.69 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 55.32 110.962 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.559 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.06 -32.79 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 64.04 111.078 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.96 -30.76 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.6 tp -65.82 -49.86 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 71.34 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.55 HG12 HG11 ' A' ' 40' ' ' VAL . 25.6 mt -60.61 -49.72 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.11 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.09 -35.74 75.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 62.13 110.912 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -72.09 -25.44 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.21 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.2 tpp -72.66 -56.39 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 54.41 110.83 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -60.46 -19.12 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.42 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -97.78 -22.27 16.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.928 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.52 -58.33 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.09 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -82.6 1.25 39.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.925 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -51.61 161.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.22 110.922 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.25 84.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 62.54 110.908 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -117.15 -40.82 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.089 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t 52.27 70.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.178 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.3 m -160.94 149.42 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 73.41 111.149 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -58.79 -27.04 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 62.15 110.875 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.1 tp -55.83 -26.79 48.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 64.31 110.897 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.1 t -53.82 -28.02 32.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 61.3 110.865 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.87 -33.29 49.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.88 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.26 -48.29 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 62.42 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.01 46.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 55.22 111.125 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -69.72 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 70.11 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -56.96 -41.61 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 61.2 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -58.62 -31.71 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ttp -63.0 -50.46 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.848 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.411 HD12 ' HG2' ' A' ' 25' ' ' LYS . 12.2 tp -57.98 -27.02 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.51 110.94 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 m -76.51 -11.82 59.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 74.13 111.12 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.32 -43.19 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.32 111.031 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.716 ' HA ' HD22 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -56.78 -52.98 62.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 62.34 110.858 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.762 ' O ' HG13 ' A' ' 115' ' ' VAL . 5.0 t-160 -56.2 -25.83 48.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.4 110.837 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.7 m -60.9 -17.3 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 65.33 111.131 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.1 mp -83.92 -24.28 30.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.909 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.503 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.34 -37.33 10.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 34.53 111.106 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.762 HG13 ' O ' ' A' ' 111' ' ' HIS . 17.9 m -50.7 -29.9 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 70.1 111.102 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.683 ' CG ' HD11 ' A' ' 75' ' ' LEU . 5.0 t0 -80.07 -44.74 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.879 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.584 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -51.36 -34.81 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 72.14 111.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -68.16 -36.66 80.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 64.2 110.866 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -78.87 -23.65 44.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.894 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.664 HD23 ' CB ' ' A' ' 72' ' ' THR . 2.5 tm? -83.36 -39.27 20.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 53.24 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 122' ' ' ASP . 2.0 tm? -55.56 -62.46 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.891 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.5 ' N ' HD13 ' A' ' 121' ' ' LEU . 26.7 t0 -55.98 -25.29 43.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.847 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 120' ' ' LEU . . . -70.05 -39.72 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.24 111.051 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 10' ' ' VAL . 93.0 t -81.55 -25.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 65.2 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -59.55 -53.61 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 24.14 110.863 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -76.55 -33.07 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.938 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -64.6 -43.77 92.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 65.43 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -24.44 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 65.01 110.898 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.37 -40.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 62.41 111.075 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 62.32 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 53.2 111.108 179.73 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 74.51 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -144.12 14.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.868 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.433 HG21 HG11 ' A' ' 124' ' ' VAL . 60.8 t -93.4 -19.73 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.134 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -94.2 -5.45 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.951 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -96.15 -49.02 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -72.13 -22.56 61.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.868 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.795 HG22 ' HB1' ' A' ' 117' ' ' ALA . 6.6 p -78.38 -26.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 41.31 111.119 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.2 ttp -65.17 -47.82 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 64.54 110.838 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.18 -33.69 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD11 HD23 ' A' ' 47' ' ' LEU . 21.8 tp -68.02 -49.87 58.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.889 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.742 HG13 ' HB1' ' A' ' 114' ' ' ALA . 89.9 t -67.8 -23.68 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.087 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -82.65 -52.6 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.5 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.61 -35.45 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.094 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 110' ' ' SER . 10.4 p -79.41 -34.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.117 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -25.69 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 64.41 110.922 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.64 -54.02 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 54.23 110.874 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 110' ' ' SER . 0.8 OUTLIER -60.19 -21.14 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.924 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -58.13 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.912 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.18 -16.95 60.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 75.05 110.885 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.703 ' HB3' HD12 ' A' ' 31' ' ' LEU . 84.1 mt-10 -88.23 7.94 29.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -64.57 -33.79 76.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 62.23 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -121.77 26.08 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 35.21 110.856 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -134.73 6.5 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 60.51 110.868 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 27' ' ' GLU . 96.6 mt -154.78 155.11 30.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.619 0.723 . . . . 45.1 110.921 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.76 20.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 51.11 112.344 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 53.9 Cg_endo -69.73 -12.21 32.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.686 2.257 . . . . 72.34 112.388 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 37' ' ' VAL . 41.6 tp10 -85.26 -17.21 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.875 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -86.47 -11.13 72.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 64.41 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.8 m-85 -85.64 -38.06 18.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 73.53 110.917 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 34' ' ' GLU . 11.4 p -61.59 -25.99 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 34.14 111.106 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 m -87.49 -23.28 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 70.34 111.116 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 43' ' ' VAL . 92.4 t -86.15 -42.96 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 60.25 111.134 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 36' ' ' TYR . 86.8 t -50.12 -29.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.138 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -51.99 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.903 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -78.42 -3.68 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 39' ' ' VAL . 88.2 t -95.71 -27.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 54.32 111.163 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.62 -15.77 16.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 34.41 112.46 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD23 ' HD3' ' A' ' 48' ' ' ARG . 39.6 mt -84.56 -8.38 58.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.891 0.376 . . . . 74.23 110.908 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -82.14 -47.67 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 65.2 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.699 ' CD2' HD23 ' A' ' 113' ' ' LEU . 1.7 pp -62.33 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.89 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HD3' HD23 ' A' ' 45' ' ' LEU . 9.9 ptm180 -67.09 -11.98 58.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.87 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -95.64 -34.22 12.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.959 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD22 ' HA ' ' A' ' 14' ' ' VAL . 4.0 pp -86.58 -26.95 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.94 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 76' ' ' LEU . 10.7 mt -54.73 -31.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 63.31 111.088 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.78 66.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 63.23 112.472 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 p -81.37 -38.19 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 73.25 110.86 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.682 HG12 HG21 ' A' ' 69' ' ' ILE . 12.3 t -88.11 -46.52 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.167 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.481 ' HA ' HD23 ' A' ' 58' ' ' LEU . 8.2 t70 -55.74 -30.56 61.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 63.32 110.849 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.73 -23.68 53.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.829 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.04 12.45 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.908 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.76 -58.81 8.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.6 0.714 . . . . 73.03 110.881 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -7.36 20.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 71.45 112.35 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 m -87.86 -4.89 58.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.862 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -131.28 159.89 69.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 74.32 110.899 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.78 162.84 40.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 52.45 112.35 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p -57.43 -24.57 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 54.32 110.889 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -56.81 -25.33 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.54 110.858 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.424 ' HB2' HD13 ' A' ' 61' ' ' LEU . 45.8 m -112.26 -19.67 12.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.873 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.438 HH21 HG23 ' A' ' 67' ' ' THR . 3.2 ttp180 -51.91 -65.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.438 HG23 HH21 ' A' ' 66' ' ' ARG . 1.9 m -55.7 -24.04 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.41 111.136 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.42 -56.65 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.89 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.682 HG21 HG12 ' A' ' 54' ' ' VAL . 5.3 mt -65.25 -52.69 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.42 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -29.94 23.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.898 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.32 -34.35 8.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 43.04 112.485 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.794 HG21 HD23 ' A' ' 120' ' ' LEU . 90.7 m -70.65 -55.68 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 74.11 111.154 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HB3' HG23 ' A' ' 51' ' ' ILE . 5.3 mm100 -59.96 -20.53 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.924 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -46.99 29.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.704 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER -74.48 -7.04 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.933 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.4 tp -70.86 -14.22 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 61.04 110.894 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -102.17 3.41 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.895 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.44 -16.69 12.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 52.33 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.516 ' CG ' HG22 ' A' ' 112' ' ' THR . 93.8 m-20 -74.1 -13.03 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.847 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.774 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -110.03 -21.04 12.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.882 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.54 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -51.71 -44.32 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 43.1 111.131 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -77.82 -26.03 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 63.21 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.793 HD22 ' HA ' ' A' ' 110' ' ' SER . 11.8 tp -70.91 -61.75 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 71.5 110.878 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.39 -43.49 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 63.34 111.118 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.68 -57.68 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.938 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -59.69 -20.76 58.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.883 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.452 ' HG2' ' HE1' ' A' ' 106' ' ' MET . 0.0 OUTLIER -68.75 -65.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 62.34 110.861 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.97 -25.48 58.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 54.33 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -87.29 -19.63 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.5 83.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.55 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 33' ' ' PRO . 3.3 pt20 -94.47 20.62 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 44.22 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.64 153.72 31.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 65.41 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.62 77.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.846 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.32 160.43 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 63.31 111.098 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.41 -16.71 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.13 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -92.38 16.23 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 45.2 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t 50.7 47.37 24.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.2 110.858 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.3 tt -76.5 -23.93 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.91 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.1 p -51.94 -30.88 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.44 110.868 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -60.21 -35.21 74.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 51.13 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -86.96 -36.31 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.25 -26.14 67.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.114 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.514 ' O ' HD11 ' A' ' 28' ' ' LEU . 3.7 mtpp -64.14 -37.55 87.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.877 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -86.86 -19.55 28.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.848 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 108' ' ' THR . 32.6 mm-40 -85.67 -17.59 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.858 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.452 ' HE1' ' HG2' ' A' ' 87' ' ' MET . 1.7 ptp -86.75 -22.46 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.53 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.51 -24.08 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.933 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 105' ' ' GLN . 14.5 t -74.32 -18.66 60.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 61.33 111.168 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.61 -39.75 13.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 71.11 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.793 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.6 m -54.86 -45.38 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.888 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -61.0 -27.14 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 79' ' ' ASP . 2.4 m -59.91 -22.07 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 61.31 111.131 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.6 mp -80.29 -23.18 40.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.894 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.742 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -42.23 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.11 111.144 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.1 p -50.87 -30.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.35 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.704 ' CG ' HD11 ' A' ' 75' ' ' LEU . 1.6 t70 -84.5 -33.14 23.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.851 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.795 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -68.86 -13.14 62.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 43.21 111.113 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -92.14 -27.22 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.35 110.862 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.32 -20.44 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.89 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.794 HD23 HG21 ' A' ' 72' ' ' THR . 3.4 tm? -80.28 -39.35 29.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.07 -29.9 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.926 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -78.83 -47.44 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.857 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.16 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 55.1 111.127 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 10' ' ' VAL . 95.6 t -77.11 -26.9 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.33 111.155 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 129' ' ' VAL . 15.3 t70 -53.22 -36.86 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 64.4 110.902 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.66 -38.1 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.934 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -53.86 -51.94 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 35.21 111.097 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.4 -24.63 63.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 61.34 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 125' ' ' ASP . 86.0 t -80.81 -40.2 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 55.42 111.134 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.8 mt -74.01 -21.66 59.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 33.22 110.932 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 53.24 111.105 179.767 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 73.02 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.682 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.8 pt? -83.1 -9.5 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 62.54 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 124' ' ' VAL . 86.3 t -54.56 -48.39 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.168 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.447 ' HB2' HD13 ' A' ' 121' ' ' LEU . 6.7 p90 -80.96 -1.1 42.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 63.13 110.929 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 9' ' ' LEU . 14.7 mt -95.01 -26.48 16.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 65.3 110.947 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -95.1 -19.07 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.661 HG22 ' HB1' ' A' ' 117' ' ' ALA . 9.1 p -81.53 -26.74 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.128 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.7 ttm -60.01 -57.9 10.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -51.35 -41.32 60.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 55.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.24 -58.67 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 63.25 110.959 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.65 HG13 ' HB1' ' A' ' 114' ' ' ALA . 25.3 t -58.85 -21.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.126 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.94 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.851 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.61 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 62.2 111.101 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' A' ' 114' ' ' ALA . 7.8 p -93.23 -9.09 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 60.33 111.181 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.625 HD23 ' HD3' ' A' ' 25' ' ' LYS . 6.6 mt -89.16 -28.01 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.929 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.91 -27.09 61.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.661 HD11 ' OG ' ' A' ' 110' ' ' SER . 1.6 pp -86.13 -2.77 58.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.5 110.909 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.625 ' HD3' HD23 ' A' ' 22' ' ' LEU . 18.3 mtpt -86.04 -62.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.909 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.85 -24.69 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 61.34 110.904 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -93.83 19.13 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.859 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -74.02 -26.8 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.903 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -110.25 22.12 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.821 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.735 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.8 mp0 -118.62 -16.94 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.905 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 30' ' ' GLN . 0.9 OUTLIER -136.66 157.76 74.44 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 71.23 110.89 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.75 169.28 19.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 75.45 112.327 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.29 30.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 75.24 112.364 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -91.31 14.54 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.938 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.05 -16.2 5.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 41.54 112.485 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.63 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.9 m-85 -91.64 -30.32 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 75.4 110.956 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.15 -37.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 72.14 111.153 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.91 -24.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.03 111.113 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.712 HG12 HG23 ' A' ' 43' ' ' VAL . 47.4 t -79.69 -29.96 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.14 111.16 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.78 HG11 HG12 ' A' ' 84' ' ' ILE . 41.9 t -51.68 -29.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 74.3 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -52.46 17.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.907 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -67.56 -22.58 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.911 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.712 HG23 HG12 ' A' ' 39' ' ' VAL . 84.9 t -87.23 -25.62 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.12 111.135 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.566 ' HA2' HD22 ' A' ' 47' ' ' LEU . . . -106.44 3.67 37.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 70.43 112.478 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD23 ' HD3' ' A' ' 48' ' ' ARG . 7.8 mt -92.01 -22.06 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.368 . . . . 74.2 110.894 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -86.61 -39.19 16.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.52 111.099 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.736 HD13 HD23 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -72.06 -14.05 61.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.03 110.886 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.728 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.3 ptm180 -98.51 -21.02 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 70.13 110.882 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -84.04 -39.24 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.2 pp -65.59 -26.32 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.922 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 48' ' ' ARG . 74.7 mt -58.18 -29.46 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.124 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.53 -8.56 87.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 74.14 112.472 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 p -91.82 -29.62 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 75.03 110.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.619 HG12 HG21 ' A' ' 69' ' ' ILE . 10.0 t -97.18 -28.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 71.11 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.565 ' HA ' HD23 ' A' ' 58' ' ' LEU . 21.0 t70 -70.89 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 51.4 110.891 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -79.24 -25.77 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -0.47 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 41.43 110.902 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -48.71 -58.97 7.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.66 0.743 . . . . 63.1 110.924 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 60.34 112.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.5 m -112.01 32.66 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.795 HD21 ' HB1' ' A' ' 127' ' ' ALA . 10.8 mt -118.24 159.23 44.16 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 73.44 110.937 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.31 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.4 65.16 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -174.85 -70.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 50.24 110.837 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.63 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.846 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -56.28 -25.89 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.827 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.97 -24.3 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.149 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.19 -58.76 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.619 HG21 HG12 ' A' ' 54' ' ' VAL . 58.9 mt -57.45 -51.65 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.119 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.693 ' HB2' HD11 ' A' ' 58' ' ' LEU . 6.5 tm-20 -53.7 -28.22 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 60.4 110.892 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.57 -12.44 53.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 50.23 112.466 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.795 HG21 HD23 ' A' ' 120' ' ' LEU . 53.0 m -92.32 -57.15 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.694 0.283 . . . . 73.23 111.143 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.586 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.5 mm100 -51.38 -32.56 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.893 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.89 79.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.4 OUTLIER -73.01 -13.72 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.916 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 47' ' ' LEU . 1.2 tp -71.08 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.925 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -101.06 4.4 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.52 10.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.923 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -16.47 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.859 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -109.97 -21.04 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.11 110.866 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -60.34 -31.92 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.24 111.094 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -88.56 -32.43 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.3 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.6 tp -64.9 -53.98 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 65.22 110.937 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.78 HG12 HG11 ' A' ' 40' ' ' VAL . 34.7 mt -59.45 -36.41 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 72.4 111.146 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.34 -40.56 89.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.947 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 55.54 110.89 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 51.6 mmm -71.02 -64.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 60.32 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -55.76 -24.17 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.857 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -90.57 -21.7 21.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -69.85 -49.15 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 43.5 111.098 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 25.69 4.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.955 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.92 158.03 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.927 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.06 82.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -121.49 113.11 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.107 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.22 -26.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.52 111.139 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 t -68.43 163.1 24.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.125 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.3 p -90.94 48.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.919 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.4 tt -95.84 -23.17 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.931 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.4 t -51.91 -30.37 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.835 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -55.3 -48.11 74.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 72.1 110.888 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.69 -34.28 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 64.31 110.86 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.49 -15.17 60.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 61.4 111.124 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.48 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.917 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -33.52 11.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 63.43 110.861 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.34 -31.6 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 54.02 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ttm -61.32 -58.36 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.885 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -55.45 -26.83 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.919 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.3 m -60.83 -25.65 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.1 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.3 -42.2 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.41 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.661 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -55.16 -52.6 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 70.25 110.895 -179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.622 ' O ' HG23 ' A' ' 115' ' ' VAL . 21.8 t-160 -55.62 -31.7 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.83 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.6 m -52.81 -42.98 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 52.32 111.128 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 47' ' ' LEU . 5.5 mp -54.75 -27.26 39.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.782 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.1 -35.09 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.22 111.088 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 111' ' ' HIS . 99.2 t -52.47 -29.45 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.13 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.642 ' CG ' HD11 ' A' ' 75' ' ' LEU . 7.8 t70 -88.34 -28.69 20.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.661 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -53.45 -37.03 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 65.1 111.101 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -79.1 -50.9 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.45 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -56.15 -25.67 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.795 HD23 HG21 ' A' ' 72' ' ' THR . 3.0 tm? -86.0 -37.97 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.95 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 11' ' ' TYR . 16.7 tp -54.86 -27.44 42.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 61.33 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.67 -54.1 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 52.34 110.819 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.64 -45.01 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.114 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.694 HG21 HG11 ' A' ' 10' ' ' VAL . 96.9 t -66.9 -34.51 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.11 111.151 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.54 -29.96 62.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.869 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -93.62 -40.77 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.795 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -62.18 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 65.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -24.61 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 63.42 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 78.0 t -94.25 -28.86 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 52.15 111.105 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.47 -25.53 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 52.1 110.907 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.151 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 61.43 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -123.88 -3.39 8.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 65.32 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 53' ' ' SER . 12.6 m -92.96 -23.49 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.35 111.091 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.722 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -86.29 -0.1 55.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.05 110.888 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.77 -50.02 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 62.31 110.948 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -68.95 -20.71 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.642 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 9.8 p -79.33 -25.2 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 65.5 111.163 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.6 ttm -60.61 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.618 ' HG3' HG21 ' A' ' 46' ' ' THR . 7.0 pt-20 -52.96 -33.06 49.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.41 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.591 HD13 ' HB ' ' A' ' 46' ' ' THR . 22.5 tp -65.47 -52.89 49.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.938 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' HB1' ' A' ' 114' ' ' ALA . 58.4 t -61.11 -19.12 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 65.52 111.135 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -53.42 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.32 110.828 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.66 38.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.688 HG11 ' HB2' ' A' ' 114' ' ' ALA . 14.2 p -87.67 -21.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 73.34 111.108 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.576 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.4 tt -81.12 -30.14 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.75 -37.63 85.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.873 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 110' ' ' SER . 1.1 pp -68.28 -15.81 63.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.902 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.664 ' HA ' HD13 ' A' ' 107' ' ' LEU . 27.5 mtpt -69.33 -71.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.906 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.55 -21.56 65.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.71 20.81 8.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.861 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.0 tm? -82.0 -24.77 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.2 t -116.41 26.4 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -134.7 11.3 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -151.94 155.93 33.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 73.12 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.78 20.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 70.12 112.309 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.38 3.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 51.33 112.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.28 -20.58 59.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -87.63 -12.02 67.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 70.11 112.499 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.703 ' O ' HG23 ' A' ' 40' ' ' VAL . 22.6 m-85 -90.37 -37.42 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 55.32 110.941 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.49 -26.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 61.34 111.136 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.93 -20.58 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 53.13 111.081 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 35' ' ' GLY . 85.4 t -85.99 -36.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.35 111.141 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 36' ' ' TYR . 36.4 t -52.33 -29.02 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.31 111.132 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -71.4 -46.87 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.932 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.14 -25.4 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.899 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 21' ' ' VAL . 85.3 t -81.92 -24.06 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 71.42 111.136 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.22 -5.54 37.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 53.02 112.476 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD23 ' HD3' ' A' ' 48' ' ' ARG . 3.9 mt -86.59 -14.8 41.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 73.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.618 HG21 ' HG3' ' A' ' 16' ' ' GLU . 1.1 m -85.91 -30.79 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 70.04 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.697 ' CD2' HD23 ' A' ' 113' ' ' LEU . 4.1 pp -81.16 -21.73 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 71.34 110.862 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.795 ' HD3' HD23 ' A' ' 45' ' ' LEU . 11.0 ptm180 -88.19 -16.66 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.833 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.589 ' CE ' HG23 ' A' ' 46' ' ' THR . 12.2 pttt -97.53 -31.13 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.55 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -78.33 -25.8 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.929 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.61 -32.01 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 70.21 111.127 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.94 -8.91 62.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 73.53 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.408 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -86.27 -36.98 19.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 71.32 110.895 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.6 HG12 HG21 ' A' ' 69' ' ' ILE . 7.4 t -89.17 -39.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 74.05 111.17 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.887 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.7 -28.1 55.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.861 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.3 9.8 42.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.6 mt -51.23 -59.32 7.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 74.15 110.956 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.73 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 73.43 112.353 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -84.03 -6.37 59.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 62.32 110.844 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.607 ' CB ' ' HB1' ' A' ' 127' ' ' ALA . 0.6 OUTLIER -127.04 159.84 62.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 75.15 110.952 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.83 29.62 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.699 2.266 . . . . 74.35 112.408 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.7 p -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 42.41 110.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -34.6 36.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 54.44 110.836 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.613 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 17.6 m -112.21 -27.45 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 65.24 110.821 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.488 ' HG2' HD22 ' A' ' 58' ' ' LEU . 1.1 ttt180 -54.14 -60.57 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.882 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -52.15 -29.25 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.23 111.127 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -77.12 -44.8 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.901 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 54' ' ' VAL . 5.4 mt -66.86 -48.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 55.22 111.136 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' OE2' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -52.0 -35.52 46.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 55.42 110.917 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.76 -38.93 7.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 52.23 112.485 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.66 HG21 HD23 ' A' ' 120' ' ' LEU . 95.2 m -62.84 -51.59 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 74.31 111.111 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -59.67 -19.53 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 64.21 110.931 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -50.66 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -68.95 -16.54 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.905 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.2 -30.3 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -89.35 4.58 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.911 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -108.71 -21.44 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -68.01 -18.71 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.847 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.805 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.08 -18.78 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.916 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.516 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -57.36 -30.07 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.084 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -91.97 -31.01 15.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.2 tp -65.98 -43.81 86.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 43.33 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.534 HG12 HG11 ' A' ' 40' ' ' VAL . 36.8 mt -70.04 -42.97 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 53.41 111.086 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.61 -23.15 49.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 9.4 tppt? -85.68 -22.07 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.898 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -59.77 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 43.41 110.869 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.32 -19.12 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 61.5 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.7 tp -97.29 -13.13 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -80.06 -53.59 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.096 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -99.8 36.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 71.45 110.897 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.471 ' H ' ' NE2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -58.35 -21.31 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.87 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.8 50.54 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.899 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.03 -2.17 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.21 111.087 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.92 76.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.127 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -153.67 156.67 38.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.107 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -69.16 -27.9 65.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.45 110.895 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -53.62 -33.9 56.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 72.41 110.906 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -24.25 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.11 110.85 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -74.48 -36.45 63.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.41 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 62.24 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.7 -22.38 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.13 111.104 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.58 -38.98 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.885 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -87.64 -38.0 16.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -65.73 -16.29 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.914 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.518 ' O ' HD13 ' A' ' 83' ' ' LEU . 10.3 ttm -82.99 -26.69 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.89 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 25' ' ' LYS . 8.1 tp -85.34 -37.41 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 t -63.75 -17.23 62.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.35 111.125 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.19 -33.86 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 64.12 111.06 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.639 ' HB2' HD21 ' A' ' 24' ' ' LEU . 93.6 p -58.36 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 64.05 110.819 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -55.17 -26.16 37.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 74.51 110.848 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -61.79 -18.47 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.183 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -82.73 -25.39 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.941 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.747 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.26 -36.72 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 62.21 111.102 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.95 -28.85 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 53.32 111.144 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.691 ' CG ' HD11 ' A' ' 75' ' ' LEU . 2.1 t0 -84.03 -37.86 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 51.53 110.883 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.642 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -55.92 -39.23 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.23 111.082 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.542 ' HE2' HG11 ' A' ' 18' ' ' VAL . 3.6 mptp? -66.83 -38.38 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 70.41 110.89 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -74.97 -25.37 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 120' ' ' LEU . 3.0 tm? -80.81 -33.17 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.954 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' A' ' 11' ' ' TYR . 5.7 tp -62.88 -52.07 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.917 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.07 -28.53 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.882 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.79 -54.64 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.116 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.19 -35.89 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 70.23 111.062 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.47 -33.34 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -90.74 -24.44 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.613 ' HB2' ' CB ' ' A' ' 65' ' ' SER . . . -70.29 -47.59 60.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 53.14 111.125 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -59.13 -21.62 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.5 t -76.8 -43.37 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 61.23 111.113 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -75.15 -18.9 60.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.43 110.896 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 75.14 111.116 179.782 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 74.43 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.6 tp -59.79 -34.5 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 70.14 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 124' ' ' VAL . 6.1 m -68.44 -12.0 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.119 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.526 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -94.58 -21.36 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 53.34 110.929 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.9 -19.09 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.924 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -100.17 -21.25 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 61.21 110.872 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.801 HG22 ' HB1' ' A' ' 117' ' ' ALA . 4.1 p -85.4 -24.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 62.41 111.127 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.1 ttp -77.25 -22.25 52.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 73.14 110.835 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -74.19 -35.2 63.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.35 110.938 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD23 ' A' ' 47' ' ' LEU . 4.9 tt -73.23 -40.86 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.921 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.815 HG13 ' HB1' ' A' ' 114' ' ' ALA . 38.5 t -60.43 -18.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.43 111.147 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -88.03 -56.4 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.0 -23.76 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.125 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.739 HG11 ' HB2' ' A' ' 114' ' ' ALA . 8.8 p -87.81 -14.48 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 71.12 111.109 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.5 tt -87.65 -29.42 21.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 61.15 110.932 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -23.77 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.886 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.763 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.5 pp -88.33 -2.75 58.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.941 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.618 ' HA ' HD13 ' A' ' 107' ' ' LEU . 34.5 mtpt -81.7 -55.21 4.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.903 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -77.33 -22.28 52.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -81.51 -0.55 42.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 65.42 110.863 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -51.82 -42.11 62.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.95 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -106.01 46.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -48.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.949 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.36 158.92 43.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 63.42 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.19 22.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 74.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -30.68 22.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 73.52 112.363 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' O ' HG12 ' A' ' 37' ' ' VAL . 13.9 pt-20 -53.66 -36.99 62.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.9 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.619 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -85.97 -9.16 77.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 63.51 112.528 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.739 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.4 m-85 -85.16 -38.32 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.412 . . . . 72.43 110.912 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.1 p -59.92 -31.08 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 63.54 111.15 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.6 m -81.46 -19.15 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 53.45 111.108 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 35' ' ' GLY . 99.1 t -91.08 -34.8 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.51 111.114 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 36' ' ' TYR . 99.3 t -51.53 -29.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 63.24 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -42.89 71.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 60.2 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -69.48 -27.11 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 63.35 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.594 HG11 HG23 ' A' ' 21' ' ' VAL . 67.8 t -85.57 -20.54 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.24 111.105 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.31 -5.04 37.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 70.22 112.5 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.762 HD23 ' HD3' ' A' ' 48' ' ' ARG . 10.4 mt -90.34 -23.67 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 61.24 110.962 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.683 ' HB ' HD12 ' A' ' 17' ' ' LEU . 6.8 m -67.84 -46.06 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 63.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.699 HD23 HD11 ' A' ' 17' ' ' LEU . 1.4 pp -61.02 -49.8 75.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.904 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.762 ' HD3' HD23 ' A' ' 45' ' ' LEU . 3.7 ptm180 -67.92 -12.31 60.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.86 -27.0 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 14' ' ' VAL . 1.5 pp -95.05 -20.75 19.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.6 mt -54.58 -32.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.11 111.134 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.65 -17.46 72.98 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.48 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 m -74.94 -29.35 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 63.32 110.873 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.534 HG12 HG21 ' A' ' 69' ' ' ILE . 6.2 t -96.69 -35.08 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.137 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.61 -35.65 68.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 60.1 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -62.45 -19.33 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.867 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.89 24.6 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.86 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -60.79 -59.2 14.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 60.13 110.918 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.72 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 73.02 112.395 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -68.07 -15.11 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.901 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' A' ' 127' ' ' ALA . 1.3 mm? -91.83 154.42 43.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 71.21 110.938 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.712 ' CG ' HD13 ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.75 179.99 3.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 72.52 112.335 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -77.55 61.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.854 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -170.29 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 50.13 110.838 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -98.79 -24.33 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.859 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -57.73 -30.85 65.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.817 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 m -70.54 -24.1 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.32 111.149 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.68 -59.92 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.534 HG21 HG12 ' A' ' 54' ' ' VAL . 64.3 mt -62.43 -42.61 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 54.21 111.101 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -15.52 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.936 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.5 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -100.85 -19.07 18.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 70.02 112.481 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.437 HG21 ' HG ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -95.34 -39.03 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.714 0.293 . . . . 72.03 111.136 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -69.79 -11.14 60.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -39.66 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.922 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.683 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -79.62 -16.93 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 62.31 110.908 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 47' ' ' LEU . 1.9 tp -57.95 -34.3 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.93 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -86.18 4.79 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.873 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -108.0 -20.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 52.32 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.77 -19.8 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 63.13 110.863 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.799 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.83 -17.24 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.14 110.91 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.24 -32.64 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 51.33 111.105 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.45 -30.6 17.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.731 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.2 tp -66.28 -49.94 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.02 -41.38 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.4 111.125 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.02 -34.07 76.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.851 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -72.91 -25.36 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.04 110.867 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 74.2 mmm -71.02 -60.35 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 72.53 110.865 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -56.73 -23.51 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 73.41 110.85 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 tp -90.51 -27.54 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.916 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.29 37.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 42.12 111.085 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.74 31.46 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.935 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -94.6 20.64 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 51.91 39.42 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.847 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.44 139.7 24.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 61.42 111.076 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.39 65.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.13 111.129 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 t -121.04 -7.89 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 70.21 111.139 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 63.43 27.32 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 65.44 110.874 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' H ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -121.4 -75.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.87 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.4 m 50.85 25.67 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.855 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -101.39 -54.33 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 70.15 110.877 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.438 ' H ' HD21 ' A' ' 98' ' ' LEU . 10.0 tt0 -58.12 -42.34 85.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.92 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.92 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.23 111.107 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -75.03 -33.0 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.933 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -87.91 -23.49 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -74.63 -43.93 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.898 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.591 ' O ' HD13 ' A' ' 83' ' ' LEU . 6.7 ptp -52.67 -35.81 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 72.15 110.867 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' A' ' 25' ' ' LYS . 7.9 tp -76.42 -40.68 50.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 64.11 110.872 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m -58.55 -21.88 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.06 -36.26 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 74.03 111.069 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.763 ' CB ' HD11 ' A' ' 24' ' ' LEU . 2.8 m -56.97 -53.44 57.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.863 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -55.27 -27.73 48.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -58.0 -22.95 52.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 74.01 111.183 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.4 mp -79.17 -23.37 43.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.929 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.815 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -40.06 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 42.21 111.087 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.3 p -52.39 -28.99 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 71.34 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.683 ' CG ' HD11 ' A' ' 75' ' ' LEU . 3.2 t70 -80.72 -33.41 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.885 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.801 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -65.03 -15.18 62.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 71.43 111.137 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -82.82 -64.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -53.63 -28.23 31.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 52.23 110.893 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.8 OUTLIER -77.13 -39.7 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.898 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 121' ' ' LEU . 11.3 tp -51.7 -37.87 52.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 70.01 110.933 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -80.26 -27.29 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 54.41 110.84 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.422 ' HB3' HD23 ' A' ' 120' ' ' LEU . . . -60.54 -61.9 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.092 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 10' ' ' VAL . 7.9 p -60.52 -29.26 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -62.87 -29.62 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.844 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -102.85 -25.47 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 65.14 110.941 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' A' ' 61' ' ' LEU . . . -78.03 -47.82 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.12 111.105 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -55.48 -25.07 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.23 -36.28 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 60.13 111.167 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.712 HD13 ' CG ' ' A' ' 62' ' ' PRO . 6.6 mt -63.06 -18.79 63.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.98 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 13.24 111.118 179.763 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.866 0.365 . . . . 73.42 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 9' ' ' LEU . 10.9 tp -116.25 -19.47 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 65.15 110.914 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 124' ' ' VAL . 30.0 t -88.86 -13.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.1 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.606 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -94.93 -24.82 16.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 62.22 110.924 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -72.28 -22.33 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.937 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.99 -46.79 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 63.05 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.774 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 2.6 p -55.36 -25.81 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 52.35 111.129 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.4 ttp -69.34 -45.4 69.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.81 -32.88 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.858 HD11 HD23 ' A' ' 47' ' ' LEU . 8.4 tt -79.43 -50.58 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 71.12 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' A' ' 114' ' ' ALA . 49.3 t -58.6 -21.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.068 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -90.41 -46.63 8.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.855 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.87 -16.31 62.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 54.33 111.081 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.58 ' HA ' HD23 ' A' ' 24' ' ' LEU . 8.7 p -93.08 -18.89 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.121 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.8 tt -86.02 -29.39 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 70.15 110.943 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -70.06 -23.09 63.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.2 pp -88.75 -3.24 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.864 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 107' ' ' LEU . 21.4 mtpt -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.945 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.1 -21.68 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -92.58 0.21 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.915 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.71 -43.24 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 71.32 110.903 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -93.1 43.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 63.12 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -134.36 -40.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.55 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -129.01 159.85 66.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 74.43 110.908 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.3 Cg_endo -69.8 169.2 19.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 71.04 112.341 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' HB3' ' HE1' ' A' ' 106' ' ' MET . 53.8 Cg_endo -69.8 -15.94 37.18 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.7 2.267 . . . . 70.25 112.348 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 37' ' ' VAL . 27.4 tp10 -71.02 -15.57 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.875 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.02 -30.05 8.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.673 -0.775 . . . . 73.33 112.462 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.8 m-85 -72.96 -30.79 64.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.845 0.355 . . . . 72.32 110.9 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 34' ' ' GLU . 6.9 p -51.16 -30.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 75.13 111.136 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.23 -29.67 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.104 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.1 t -72.36 -37.43 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 65.11 111.129 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' TYR . 41.4 t -55.71 -24.84 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 64.41 111.101 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.72 -52.32 39.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.923 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.491 HD21 HG13 ' A' ' 39' ' ' VAL . 5.0 p30 -71.91 -20.77 61.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.881 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 39' ' ' VAL . 92.4 t -84.19 -23.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.14 111.081 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.14 -14.61 20.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 64.41 112.522 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' A' ' 48' ' ' ARG . 10.1 mt -84.31 -4.74 59.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 71.3 110.92 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.689 ' HB ' HD12 ' A' ' 17' ' ' LEU . 2.1 m -84.27 -47.65 10.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.55 111.138 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.858 HD23 HD11 ' A' ' 17' ' ' LEU . 1.7 pp -62.46 -47.22 85.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 70.14 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.789 ' HD2' HD23 ' A' ' 45' ' ' LEU . 18.8 ptp180 -67.41 -12.64 60.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.01 110.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -96.53 -29.91 13.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.23 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.1 -22.04 20.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.898 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.6 mt -54.86 -33.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.097 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.28 -13.06 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 53.13 112.492 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 m -86.87 -28.33 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 74.43 110.823 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 69' ' ' ILE . 2.9 t -97.82 -31.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.748 ' HA ' HD23 ' A' ' 58' ' ' LEU . 8.1 t70 -73.92 -17.94 60.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.857 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.38 -23.83 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.14 110.85 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.75 4.61 47.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -50.92 -60.0 6.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.738 . . . . 55.12 110.922 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.83 -8.39 23.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 64.11 112.346 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -101.32 0.64 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.851 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.676 HD22 HD12 ' A' ' 69' ' ' ILE . 1.2 mp -97.03 160.39 29.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 62.02 110.942 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -174.99 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 71.42 112.315 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.7 p -94.24 53.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.02 110.843 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -149.94 -46.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -100.45 -20.93 15.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 60.33 110.855 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -52.78 -50.21 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 72.11 110.858 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.403 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 2.6 m -71.24 -9.69 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.12 111.148 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.47 -47.0 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.883 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.715 HG21 HG12 ' A' ' 54' ' ' VAL . 18.6 mt -72.3 -39.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 55.51 111.133 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HB3' HD11 ' A' ' 58' ' ' LEU . 1.6 pp20? -53.08 -35.37 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.845 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.56 -2.3 65.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.683 HG21 ' HG ' ' A' ' 120' ' ' LEU . 98.4 m -96.18 -43.31 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 74.54 111.118 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -61.65 -17.58 56.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -40.59 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.92 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -74.6 -24.0 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.12 110.885 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 47' ' ' LEU . 2.0 tp -61.92 -17.43 56.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 52.55 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.77 4.29 54.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -101.83 -28.94 12.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.91 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.27 -27.64 67.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.918 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.779 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -104.85 -7.01 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.948 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.069 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.25 -30.79 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.2 tp -67.02 -54.12 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.459 HG12 HG11 ' A' ' 40' ' ' VAL . 37.3 mt -56.28 -49.36 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.115 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.68 -25.73 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 64.44 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -80.1 -26.55 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 52.13 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.457 ' HE1' ' HB2' ' A' ' 36' ' ' TYR . 53.0 mmm -69.12 -56.5 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.855 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -61.57 -17.96 57.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.902 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.483 HD12 HE22 ' A' ' 92' ' ' GLN . 20.9 tp -98.25 -17.28 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.874 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.564 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . . . -93.06 -22.51 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 51.41 111.097 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -126.19 26.66 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.93 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.483 HE22 HD12 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -51.02 168.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.912 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.87 59.37 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.33 110.878 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 -174.89 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 54.24 111.114 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.81 58.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -110.24 174.74 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.142 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.7 p -98.73 -24.85 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.826 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.42 -28.02 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.937 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -25.68 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.81 -36.06 69.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 60.33 110.848 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.27 -33.84 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 63.54 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 90' ' ' ALA . . . -68.06 -23.06 64.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 40.42 111.073 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.79 -34.69 78.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 74.13 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -89.29 -20.89 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -87.36 -24.08 24.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 55.24 110.921 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.535 ' O ' HD13 ' A' ' 83' ' ' LEU . 8.5 ptp -75.13 -26.86 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.852 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -82.34 -25.74 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 63.52 110.9 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -24.7 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.45 111.155 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.26 -30.43 19.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 64.43 111.097 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.698 ' HA ' HD22 ' A' ' 83' ' ' LEU . 19.6 m -57.53 -56.86 16.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.851 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -54.44 -26.33 30.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 45.3 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.508 ' HA ' HG12 ' A' ' 115' ' ' VAL . 2.9 m -59.7 -20.5 56.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.33 111.104 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.6 mp -77.9 -23.97 48.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 63.34 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.703 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -49.09 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.085 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 112' ' ' THR . 5.7 p -51.62 -29.29 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.137 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -88.82 -29.13 19.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.86 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.774 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -70.56 -24.24 62.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.42 111.123 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -76.86 -26.05 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -70.3 -29.34 66.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 60.34 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.683 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.7 OUTLIER -78.55 -40.69 34.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.916 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' ' 11' ' ' TYR . 12.5 tp -54.27 -38.58 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.915 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -31.53 71.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.03 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.099 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 10' ' ' VAL . 17.4 m -57.58 -27.58 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.45 111.106 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.75 -52.6 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 62.44 110.875 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -76.29 -27.14 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.916 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -70.45 -42.92 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.076 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -23.67 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.905 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.8 -36.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 72.45 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 65.1 mt -81.17 -26.21 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 54.05 110.908 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 55.32 111.093 179.788 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.833 0.349 . . . . 72.4 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.35 24.71 4.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.2 110.944 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 124' ' ' VAL . 69.9 t -88.04 -43.42 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 61.43 111.141 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.602 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -76.99 -18.15 58.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.9 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD22 ' CD2' ' A' ' 11' ' ' TYR . 2.3 mm? -73.42 -18.79 61.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 62.03 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -99.95 -46.81 5.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.887 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 10' ' ' VAL . 8.6 m -51.84 -29.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.52 111.152 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.2 ttm -59.01 -63.49 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.899 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -51.88 -29.95 21.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.844 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' HB ' ' A' ' 46' ' ' THR . 25.9 tp -70.98 -54.41 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.924 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.943 HG13 ' HB1' ' A' ' 114' ' ' ALA . 99.6 t -60.35 -22.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.2 111.153 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -80.51 -52.57 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.62 -36.73 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 73.11 111.143 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.0 p -77.32 -22.32 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 73.35 111.157 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.7 tt -72.74 -29.93 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 72.15 110.954 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.53 -51.92 37.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.61 HD23 HG21 ' A' ' 43' ' ' VAL . 1.1 pp -58.67 -22.07 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.05 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HA ' HD12 ' A' ' 107' ' ' LEU . 10.8 mtpt -71.9 -69.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 65.22 110.88 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.64 -26.3 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 62.24 110.864 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.96 20.41 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.666 HD11 ' HG2' ' A' ' 103' ' ' LYS . 3.1 tm? -76.32 -25.3 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 74.54 110.958 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.3 t -108.21 43.87 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -134.53 -41.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.09 160.29 31.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 73.43 110.93 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.37 21.76 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 74.21 112.352 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 61.43 112.285 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -97.1 22.58 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 53.15 110.907 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.44 -37.36 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 74.14 112.504 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.739 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.9 m-85 -65.62 -14.7 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.898 0.38 . . . . 74.14 110.934 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.99 -12.52 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 64.31 111.129 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -93.55 -33.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.13 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.12 -24.99 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.54 111.1 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 36' ' ' TYR . 59.3 t -60.86 -18.78 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.15 111.089 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.15 -58.34 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.913 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.451 ' OD1' HG23 ' A' ' 43' ' ' VAL . 23.8 p30 -66.88 -21.32 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.3 110.859 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG21 HD23 ' A' ' 24' ' ' LEU . 52.5 t -83.93 -27.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.51 111.122 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.13 1.54 37.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 62.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.675 HD23 ' HD3' ' A' ' 48' ' ' ARG . 5.5 mt -96.82 -20.98 17.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.364 . . . . 74.23 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.487 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.82 -16.52 60.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 64.31 111.114 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' A' ' 50' ' ' LEU . 3.9 pp -92.17 -42.33 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.907 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.675 ' HD3' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -68.22 -13.97 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.869 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -39.97 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 63.03 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -68.39 -25.68 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.939 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 48' ' ' ARG . 20.6 mt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.132 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.57 -12.19 58.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.744 . . . . 64.42 112.476 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.5 p -85.58 -47.44 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 75.3 110.857 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 HD13 ' A' ' 69' ' ' ILE . 3.0 t -78.13 -18.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 41.54 111.136 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.87 -22.81 39.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 53.33 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.508 ' HB3' HD22 ' A' ' 57' ' ' LEU . 51.5 t0 -58.78 -32.87 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 60.44 110.898 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 56' ' ' ASP . 2.1 mm? -119.0 18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 65.24 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -51.07 -57.48 13.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 54.02 110.906 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.76 -6.34 18.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 53.54 112.321 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -91.67 14.69 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 52.24 110.865 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.024 HD22 ' HB1' ' A' ' 127' ' ' ALA . 4.0 mt -110.13 156.35 40.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 74.12 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.73 -168.66 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.25 . . . . 61.34 112.323 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -89.3 11.16 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 41.12 110.84 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 t -120.23 -17.63 8.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.839 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -112.29 -37.05 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.54 110.851 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -54.26 -47.42 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 65.44 110.883 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -60.04 -20.43 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.1 111.09 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.03 -60.7 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 61.32 110.927 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.716 HD12 ' CD1' ' A' ' 61' ' ' LEU . 67.9 mt -68.24 -46.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.126 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.14 -22.1 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.52 -11.28 33.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 34.21 112.468 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.7 HG21 HD23 ' A' ' 120' ' ' LEU . 66.9 m -95.76 -48.29 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 62.44 111.123 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB3' HG23 ' A' ' 51' ' ' ILE . 4.6 mm-40 -59.64 -21.63 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -39.96 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.895 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.7 OUTLIER -73.57 -18.13 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 52.12 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 51' ' ' ILE . 1.2 tp -59.15 -25.7 64.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 53.21 110.883 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -91.97 4.73 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.6 -24.02 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.44 110.876 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.44 -23.12 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.41 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.773 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.24 -10.35 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 65.23 110.896 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.506 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -61.88 -27.19 68.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.101 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.2 -28.73 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 75.14 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.3 tp -69.29 -44.75 71.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 63.44 110.91 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.37 -34.31 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.51 111.142 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.49 -55.59 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.1 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 14.2 tppt? -68.6 -15.54 63.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 64.22 110.885 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 tpt -69.63 -67.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.885 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -58.08 -22.16 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.882 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.72 -17.01 27.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 61.13 110.956 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -70.37 -35.35 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.093 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.2 24.56 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.863 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.728 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -58.89 149.66 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.913 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -100.94 80.19 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.917 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.728 ' HB3' ' OE1' ' A' ' 92' ' ' GLN . . . -144.45 149.44 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.01 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.29 -22.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 61.42 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -51.59 135.25 28.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 71.45 111.12 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -77.52 -16.19 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.881 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.8 tt -51.87 -29.68 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 62.15 110.897 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -51.76 -30.3 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 62.43 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.62 -39.29 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 52.24 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.73 -26.67 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.911 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.95 -24.38 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.04 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.666 ' HG2' HD11 ' A' ' 28' ' ' LEU . 16.8 ttpt -55.7 -59.47 4.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.924 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -70.79 -31.42 68.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 108' ' ' THR . 68.5 mm-40 -74.6 -7.3 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.53 110.903 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.82 -52.86 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.904 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.5 tt -62.26 -23.93 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.939 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 105' ' ' GLN . 14.4 t -66.46 -24.5 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.123 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.71 14.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 65.2 111.103 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.578 ' HA ' HD22 ' A' ' 83' ' ' LEU . 84.1 p -55.55 -50.58 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.838 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.594 ' O ' HG23 ' A' ' 115' ' ' VAL . 15.7 t-160 -53.3 -33.33 52.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.863 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 m -53.28 -40.94 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 74.31 111.138 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -59.51 -25.12 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.91 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -93.67 -44.66 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.14 111.098 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 111' ' ' HIS . 22.1 t -57.99 -23.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.02 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.585 ' OD1' HD11 ' A' ' 75' ' ' LEU . 7.5 m-20 -90.04 -14.68 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.582 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -94.22 21.79 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.21 111.12 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.18 -60.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.932 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -61.54 -18.66 60.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 72' ' ' THR . 3.1 tm? -78.36 -30.49 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.13 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.602 HD13 ' HB2' ' A' ' 11' ' ' TYR . 9.4 tp -58.26 -41.48 84.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.02 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.87 -27.56 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.857 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 120' ' ' LEU . . . -68.38 -50.32 53.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 44.4 111.093 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 10' ' ' VAL . 6.3 p -64.02 -33.18 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 65.3 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.0 -28.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 63.25 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.666 ' O ' HD23 ' A' ' 130' ' ' LEU . 24.7 mm100 -104.18 7.47 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.94 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 1.024 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -108.44 -41.39 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 61.31 111.086 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.79 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.916 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.7 t -84.19 -39.11 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 44.52 111.147 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 126' ' ' GLN . 3.7 mm? -61.09 -24.08 65.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 51.15 111.123 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.341 . . . . 74.31 110.853 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.3 pt? -99.23 -20.6 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.934 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.736 HG11 HG11 ' A' ' 124' ' ' VAL . 3.5 p -54.48 -26.26 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 73.51 111.157 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.99 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.918 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -74.64 -28.53 60.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 72.35 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -86.71 -55.13 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.01 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.764 HG13 ' HB1' ' A' ' 117' ' ' ALA . 39.3 t -52.3 -28.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.115 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.0 ttm -56.76 -53.74 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.9 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.591 ' HG3' HG21 ' A' ' 46' ' ' THR . 4.8 pt-20 -69.83 -23.59 63.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 75.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 46' ' ' THR . 27.0 tp -68.7 -47.72 65.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.953 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.749 HG13 ' HB1' ' A' ' 114' ' ' ALA . 23.1 t -69.2 -24.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 70.12 111.111 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.51 -51.56 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.891 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.91 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.22 111.118 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 114' ' ' ALA . 8.9 p -78.35 -18.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.11 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.0 tp -81.48 -27.53 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -71.25 -38.1 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.587 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.3 pp -72.94 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.01 110.913 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HA ' HD12 ' A' ' 107' ' ' LEU . 10.6 mmmt -74.53 -50.46 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.914 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -76.85 -24.48 52.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 61.23 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.91 -5.12 47.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.843 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.611 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -51.4 -36.84 45.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.885 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.6 t -117.15 46.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 65.01 110.822 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -144.85 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -112.04 155.88 42.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 75.22 110.874 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 168.7 20.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 64.33 112.305 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.87 35.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 72.31 112.374 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.494 ' O ' HG12 ' A' ' 37' ' ' VAL . 40.4 tp10 -73.19 -14.13 61.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.886 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.81 -37.15 6.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 60.5 112.532 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.0 m-85 -57.62 -36.51 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 72.41 110.865 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 34' ' ' GLU . 14.3 p -56.84 -24.22 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 71.41 111.14 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.25 -22.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 65.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 43' ' ' VAL . 58.3 t -84.11 -45.94 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.131 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 36' ' ' TYR . 37.1 t -51.16 -30.13 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.52 111.087 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.76 -51.06 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.923 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -71.43 -24.04 61.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.15 110.87 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 39' ' ' VAL . 88.8 t -79.53 -25.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.125 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.8 30.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.455 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.802 HD23 ' HD3' ' A' ' 48' ' ' ARG . 5.9 mt -83.92 -16.09 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 75.42 110.874 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.652 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.71 -50.06 16.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.168 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.545 HD21 HD23 ' A' ' 80' ' ' LEU . 2.8 pp -60.07 -45.82 91.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.32 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.802 ' HD3' HD23 ' A' ' 45' ' ' LEU . 6.7 ptm180 -67.74 -12.94 61.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.864 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -96.83 -23.7 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.912 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 50' ' ' LEU . 3.8 pp -101.02 -11.24 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 61.25 110.912 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 48' ' ' ARG . 5.3 mt -64.19 -30.36 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 61.01 111.104 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.82 0.29 82.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 64.02 112.518 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 t -92.81 -30.32 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 54.51 110.844 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.6 ' HA ' HD21 ' A' ' 57' ' ' LEU . 2.1 t -97.75 -0.87 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 62.14 111.154 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -86.76 -27.12 23.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.857 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.1 -8.58 56.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 52.15 110.837 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.659 HD12 HD11 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -117.91 -9.41 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.906 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 61' ' ' LEU . 1.6 mt -47.65 -59.98 4.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 74.42 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.77 -8.68 24.22 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.256 . . . . 73.51 112.344 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -110.53 31.2 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 42.11 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.778 ' CD2' ' HB1' ' A' ' 127' ' ' ALA . 13.5 mt -119.32 158.85 47.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.569 0.7 . . . . 73.14 110.962 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HG3' HD13 ' A' ' 130' ' ' LEU . 53.6 Cg_endo -69.8 169.19 19.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 64.03 112.345 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.1 m -80.26 58.59 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.891 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -162.85 -40.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 61.32 110.853 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 69' ' ' ILE . 11.0 p -96.73 -33.31 11.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.84 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.01 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.858 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -58.14 -26.43 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.43 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 44.32 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.503 HD13 ' CD1' ' A' ' 61' ' ' LEU . 3.2 mt -57.74 -45.06 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 73.2 111.126 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.72 -29.12 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.926 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.41 -31.78 6.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 53.35 112.452 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.556 HG21 ' HG ' ' A' ' 120' ' ' LEU . 5.3 m -66.87 -45.16 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 53.34 111.107 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.504 ' OE1' HD11 ' A' ' 120' ' ' LEU . 2.9 mm100 -66.71 -20.22 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 60.33 110.903 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -45.3 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.4 110.873 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.651 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -78.59 -13.54 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 55.24 110.932 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.5 tp -62.51 -16.79 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.926 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -102.03 5.0 40.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.863 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.47 -35.33 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.901 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.2 -26.75 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.94 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -102.84 -14.58 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 65.21 110.926 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.555 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -62.16 -35.68 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 53.45 111.121 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -89.29 -29.92 18.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.1 tp -66.08 -49.11 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.941 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 mt -59.08 -41.18 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.129 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.53 -54.88 42.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.886 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 13.4 tptt -61.34 -19.11 61.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 73.15 110.896 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -65.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.91 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -57.41 -22.89 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 55.34 110.833 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.1 tp -91.46 -17.31 25.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 72.1 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -70.65 -35.3 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 51.14 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.15 23.85 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.928 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.575 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -59.81 150.14 29.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.955 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -108.41 70.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.891 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.575 ' HB3' ' OE1' ' A' ' 92' ' ' GLN . . . -112.62 -169.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 43.33 111.103 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 95' ' ' VAL . 6.7 p -114.5 23.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.121 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.662 HG22 ' H ' ' A' ' 98' ' ' LEU . 3.8 m -53.87 148.08 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 73.54 111.181 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.4 m -88.56 -18.16 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 55.14 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.662 ' H ' HG22 ' A' ' 96' ' ' THR . 4.2 tp -100.45 -73.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 p 54.1 22.88 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.85 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -100.69 -45.77 5.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 65.52 110.882 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -55.58 -32.86 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.915 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.54 -18.02 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.1 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -90.87 -43.41 10.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 63.41 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.69 -26.52 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.862 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -74.9 -13.64 60.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.491 ' O ' HD13 ' A' ' 83' ' ' LEU . 8.6 ttm -87.31 -26.8 23.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 65.45 110.882 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -87.01 -32.82 19.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.44 110.889 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -66.03 -22.19 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.157 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.62 -36.85 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 61.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.755 ' HA ' HD22 ' A' ' 83' ' ' LEU . 97.0 p -56.69 -54.61 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.24 110.87 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.752 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.7 t60 -52.82 -30.89 35.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 m -53.87 -33.24 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 64.32 111.13 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.0 mp -67.06 -39.05 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.908 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.749 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -79.92 -31.14 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 111' ' ' HIS . 85.6 t -56.83 -23.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.116 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.651 ' CG ' HD11 ' A' ' 75' ' ' LEU . 4.4 t0 -91.01 -44.61 9.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.895 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.764 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -55.47 -25.41 36.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.41 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -67.56 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.868 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.49 -25.96 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.556 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.5 OUTLIER -77.29 -43.38 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.44 110.956 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.0 tp -53.8 -27.83 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.951 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.63 -26.29 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 62.11 110.896 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.65 -59.74 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.33 111.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.736 HG11 HG11 ' A' ' 10' ' ' VAL . 23.4 t -59.56 -34.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.04 111.103 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.31 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.13 110.893 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -97.16 -28.07 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.23 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.778 ' HB1' ' CD2' ' A' ' 61' ' ' LEU . . . -69.49 -50.17 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.24 111.128 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.21 58.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.7 t -86.06 -25.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.44 111.148 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.559 HD13 ' HG3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -65.21 -33.08 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.929 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.074 179.816 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.829 0.347 . . . . 63.22 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.26 -30.61 28.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.3 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 14' ' ' VAL . 85.1 t -58.22 -36.99 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.02 111.155 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.754 ' HB2' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -79.39 -18.7 51.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 74.32 110.916 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.519 HD22 ' CE2' ' A' ' 11' ' ' TYR . 1.8 mm? -72.58 -18.16 61.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 63.03 110.928 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -100.33 -47.67 4.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.4 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.804 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 10.1 m -51.48 -29.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 54.32 111.139 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttp -60.37 -58.76 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 65.2 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.71 -36.8 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.05 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD23 ' HB2' ' A' ' 117' ' ' ALA . 23.9 tp -61.54 -45.7 93.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 73.15 110.932 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 ' HB1' ' A' ' 114' ' ' ALA . 59.0 t -68.15 -20.44 25.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.22 111.125 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -85.46 -50.19 7.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.881 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.93 -24.53 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 45.45 111.142 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 114' ' ' ALA . 10.2 p -93.24 -8.92 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 74.11 111.139 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 -26.61 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 63.41 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.28 -30.41 62.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.859 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.632 HD23 HG21 ' A' ' 43' ' ' VAL . 1.6 pp -83.49 -2.8 56.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 72.32 110.931 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HA ' HD12 ' A' ' 107' ' ' LEU . 18.7 mttt -81.84 -61.15 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.936 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -71.95 -22.86 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.849 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -90.05 11.66 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -75.2 -25.4 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.907 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -109.28 44.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.839 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -135.72 -51.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.942 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.3 160.68 28.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 75.13 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.24 19.36 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 73.43 112.353 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -8.64 24.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 74.41 112.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -78.26 -3.53 43.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 64.25 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.16 -47.2 1.09 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 40.33 112.447 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.751 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.6 m-85 -53.28 -30.47 38.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 72.55 110.926 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.39 -25.79 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 63.01 111.152 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.45 -29.19 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -76.51 -25.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.132 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' TYR . 51.3 t -66.23 -17.11 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 54.22 111.169 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.2 -54.63 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.23 110.918 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.39 -23.89 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.917 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.81 HG12 HD22 ' A' ' 113' ' ' LEU . 74.5 t -80.27 -26.49 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 54.42 111.123 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.24 -4.44 38.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 51.05 112.486 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 48' ' ' ARG . 5.7 mt -92.12 -6.59 50.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 65.23 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.443 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.05 -28.28 19.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.068 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.797 HD21 HD23 ' A' ' 80' ' ' LEU . 4.6 pp -85.8 -32.48 21.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 61.14 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.765 ' HA ' HD12 ' A' ' 51' ' ' ILE . 17.2 ptp180 -77.79 -14.71 59.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.874 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.85 -35.14 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.3 110.929 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.06 -24.04 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 54.12 110.901 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 48' ' ' ARG . 19.2 mt -59.34 -27.8 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 51.5 111.149 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.94 1.47 74.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 54.32 112.459 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.87 -27.78 13.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 74.44 110.878 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.695 HG12 HD13 ' A' ' 69' ' ' ILE . 2.7 t -97.86 -23.84 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 64.34 111.144 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.28 -20.86 60.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.851 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -73.33 -12.13 60.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.887 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.01 -2.8 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 45.13 110.923 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.1 mt -49.27 -59.71 6.07 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.645 0.736 . . . . 74.13 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.83 -7.58 21.43 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 74.31 112.321 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -113.66 25.26 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.904 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.707 HD21 ' HB1' ' A' ' 127' ' ' ALA . 9.9 mt -117.64 159.0 43.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.25 110.92 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -174.89 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 73.44 112.373 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.3 p -92.02 51.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -152.63 -47.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 52.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 m -92.99 -34.81 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.846 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -52.52 -44.92 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -71.55 -19.73 62.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.32 111.137 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -60.78 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 62.2 110.876 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.695 HD13 HG12 ' A' ' 54' ' ' VAL . 22.9 mt -54.53 -41.17 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.144 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.39 -35.25 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 61.32 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.44 -8.81 59.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 53.24 112.526 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.781 ' CG2' HD12 ' A' ' 120' ' ' LEU . 28.4 m -93.37 -49.26 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 75.31 111.11 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.17 -32.67 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.1 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.875 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.4 OUTLIER -67.56 -20.37 65.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.92 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.85 -19.75 60.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.924 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.425 ' HA ' HD11 ' A' ' 80' ' ' LEU . 12.5 m-80 -94.81 4.58 53.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -103.38 -24.76 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.879 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.623 ' OD1' HG22 ' A' ' 112' ' ' THR . 12.8 m-20 -65.22 -24.7 67.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 74.55 110.887 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.797 HD23 HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -106.49 -12.16 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 54.3 110.953 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.81 -32.32 73.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.141 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -88.64 -32.1 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 70.42 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.554 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.0 tp -65.76 -53.45 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.884 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.568 HG12 HG11 ' A' ' 40' ' ' VAL . 17.0 mt -61.87 -42.7 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.153 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.35 -29.89 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -76.1 -24.05 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 73.05 110.916 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.9 tpp -72.44 -57.07 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.877 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -60.5 -18.6 52.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.848 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp -98.28 -20.95 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.883 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.83 -57.8 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.34 111.095 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -79.06 -2.05 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 62.12 110.927 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.88 154.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -74.32 83.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.65 170.15 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 62.32 111.106 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.91 30.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.104 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -149.17 170.42 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.172 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -75.79 73.27 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.833 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.0 tp -113.58 -25.52 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -52.01 -43.0 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.11 110.894 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -65.27 -39.18 92.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 65.24 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.51 -50.66 57.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.877 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.65 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.047 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -58.02 -49.04 78.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -78.02 -39.65 41.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -62.77 -26.47 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.933 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.8 ttp -65.12 -61.13 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.872 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -57.62 -24.38 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.8 m -63.34 -24.47 67.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 75.44 111.132 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.42 -27.66 18.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.09 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.554 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.4 m -60.85 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 43.51 110.857 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.9 t-80 -51.17 -34.58 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.891 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.623 HG22 ' OD1' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -54.76 -41.01 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.44 111.127 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.81 HD22 HG12 ' A' ' 43' ' ' VAL . 4.9 mp -61.87 -18.26 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.913 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.944 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -97.05 -32.59 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 54.42 111.084 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 111' ' ' HIS . 4.8 t -80.45 -24.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.51 111.111 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.32 -12.41 60.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 54.34 110.877 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.804 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -88.64 -21.4 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.091 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -87.9 -35.83 17.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.869 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -61.97 -34.82 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.781 HD12 ' CG2' ' A' ' 72' ' ' THR . 3.2 tt -75.15 -49.54 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.11 110.893 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -48.65 -33.27 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.877 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.43 -43.2 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.898 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.85 -23.39 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.13 111.104 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 120' ' ' LEU . 43.0 t -81.7 -36.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.141 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -51.22 -51.17 56.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.858 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -69.66 -27.08 64.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.707 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -65.17 -50.71 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.15 111.126 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.77 -23.78 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 63.24 110.947 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -81.14 -39.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 71.02 111.107 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.8 -26.04 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.883 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.087 179.82 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.841 0.353 . . . . 53.31 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 12' ' ' LEU . 2.2 pt? -56.98 -24.15 51.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.936 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 124' ' ' VAL . 87.5 t -56.56 -26.43 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.159 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.672 ' HA ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -95.25 -19.54 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.947 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 9' ' ' LEU . 6.9 mt -69.42 -15.85 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.932 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -100.73 -42.83 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.55 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.805 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 10.7 m -65.29 -30.27 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 41.13 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -58.92 -40.82 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.18 -29.06 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.884 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.4 tt -78.54 -50.52 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 71.53 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.936 HG13 ' HB1' ' A' ' 114' ' ' ALA . 18.0 t -61.62 -25.21 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.117 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -85.24 -36.39 20.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.87 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.8 -19.58 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 71.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.868 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.3 p -93.08 -18.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.164 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 18' ' ' VAL . 1.6 mm? -85.38 -25.23 27.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 53.12 110.934 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.77 -16.14 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 61.3 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -91.13 -6.2 53.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 54.12 110.931 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 107' ' ' LEU . 40.1 mtpt -91.36 -53.24 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.945 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.64 -12.69 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 71.34 110.843 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -101.91 -0.78 33.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.889 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -51.6 -36.76 46.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.92 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -99.1 42.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.869 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -131.57 -59.37 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD11 ' CZ ' ' A' ' 36' ' ' TYR . 0.4 OUTLIER -112.99 160.69 29.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 70.23 110.903 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.01 19.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 75.34 112.322 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -35.33 12.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 43.32 112.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 37' ' ' VAL . 11.1 tp10 -54.35 -35.13 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 63.24 110.891 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.715 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -84.69 -9.69 80.71 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.766 -0.73 . . . . 64.04 112.459 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -80.97 -20.49 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 75.43 110.927 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.8 p -59.24 -18.44 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 72.42 111.095 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 35' ' ' GLY . 7.4 p -88.26 -10.57 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.137 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 36' ' ' TYR . 0.3 OUTLIER -89.78 -24.95 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.174 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG11 HG12 ' A' ' 84' ' ' ILE . 10.0 t -70.02 -10.47 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.3 111.15 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -50.35 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.895 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' OD1' HG23 ' A' ' 43' ' ' VAL . 11.7 p30 -74.99 -29.84 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 73.1 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 HD22 ' A' ' 113' ' ' LEU . 73.4 t -77.36 -25.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 70.05 111.112 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.18 -37.5 4.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 72.1 112.497 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.1 -38.6 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 43.03 110.914 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.448 HG23 ' HZ3' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -68.79 -29.13 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 61.44 111.161 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.788 HD12 ' HG ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -70.42 -31.56 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.957 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.703 ' N ' HD23 ' A' ' 47' ' ' LEU . 13.0 ptm180 -91.04 -11.59 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.448 ' HZ3' HG23 ' A' ' 46' ' ' THR . 5.5 ttpm? -97.05 -14.2 21.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 64.11 110.911 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD21 HD21 ' A' ' 76' ' ' LEU . 1.4 pp -98.66 -34.81 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.943 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 73' ' ' GLN . 69.9 mt -61.22 -27.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 61.3 111.13 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 4.82 78.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 65.33 112.455 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -111.03 -25.3 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 72.22 110.833 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.652 ' CG2' HG13 ' A' ' 10' ' ' VAL . 3.5 t -98.2 -31.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 61.34 111.16 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' HA ' HD13 ' A' ' 58' ' ' LEU . 5.3 t70 -67.7 -14.04 62.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.24 110.903 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.21 -18.62 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.02 -6.19 22.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.905 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -48.24 -59.66 5.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 63.11 110.985 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.82 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 75.33 112.349 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 t -113.66 23.67 12.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.896 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.774 HD21 ' HB1' ' A' ' 127' ' ' ALA . 10.1 mt -115.65 158.69 41.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 74.13 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.575 ' HG3' HD13 ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.76 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 51.43 112.355 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -94.01 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 43.11 110.85 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.7 t -159.81 -53.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 73.03 110.836 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.6 p -79.33 -36.44 39.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.835 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -57.85 -45.13 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 73.24 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -61.14 -26.43 67.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.24 111.135 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -75.95 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.01 110.869 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.618 HG21 HG12 ' A' ' 54' ' ' VAL . 3.2 mt -55.97 -50.11 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 40.12 111.132 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.97 -26.56 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.892 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.11 -12.19 50.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 21.12 112.479 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.666 HG21 HD23 ' A' ' 120' ' ' LEU . 11.8 m -92.53 -50.31 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.724 0.297 . . . . 71.5 111.118 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.536 ' HB3' HG23 ' A' ' 51' ' ' ILE . 6.8 mm100 -62.16 -17.33 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.872 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -28.64 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.44 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.677 HD21 ' OD1' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -87.89 -18.36 29.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.892 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.788 ' HG ' HD12 ' A' ' 47' ' ' LEU . 6.1 tp -56.54 -38.71 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.31 110.968 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -73.04 -8.3 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.6 -13.4 22.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 42.22 110.889 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -76.81 -24.36 52.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.791 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -108.92 -3.3 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.54 110.897 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.04 111.128 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -90.94 -27.71 18.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 53.42 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.23 -47.94 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 65.44 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 80' ' ' LEU . 12.6 mt -64.83 -45.14 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.086 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.89 -41.35 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.601 ' HD3' HD23 ' A' ' 89' ' ' LEU . 1.5 tppm? -88.36 -13.05 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.907 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 tpt -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 43.21 110.887 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -98.15 -9.82 25.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.601 HD23 ' HD3' ' A' ' 86' ' ' LYS . 27.7 tp -98.13 -31.61 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 70.13 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.96 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 63.41 111.116 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.35 -16.97 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 70.12 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -51.66 141.78 15.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.876 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.17 65.01 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.34 129.04 34.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 62.11 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.63 -40.37 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.155 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -60.29 166.52 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 70.12 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.96 31.76 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 54.13 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.67 -22.31 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 52.44 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.6 t -51.82 -30.32 22.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.85 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -70.97 -45.88 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.44 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -40.75 89.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 65.51 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.8 -28.26 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 72.13 111.129 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' ' 28' ' ' LEU . 2.0 tptm -60.23 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -30.54 71.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.873 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -71.53 -26.4 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.953 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.6 ttm -69.76 -55.46 9.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 33.03 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 25' ' ' LYS . 2.0 tt -56.49 -24.74 48.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 62.11 110.923 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -74.8 -23.72 58.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.163 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -93.18 -24.14 18.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.108 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.536 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.39 -55.08 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 64.02 110.838 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.69 ' O ' HG23 ' A' ' 115' ' ' VAL . 18.2 t-160 -50.88 -31.04 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 61.22 110.874 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -29.01 51.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 75.15 111.133 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.791 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.2 mp -72.26 -31.07 65.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 64.04 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.936 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -86.55 -40.2 15.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.093 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 111' ' ' HIS . 46.5 t -51.21 -35.67 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 72.45 111.132 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.677 ' OD1' HD21 ' A' ' 75' ' ' LEU . 10.0 t0 -76.54 -48.34 19.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 52.42 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.805 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -58.06 -21.9 47.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.106 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -79.58 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -62.3 -17.29 58.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.918 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.666 HD23 HG21 ' A' ' 72' ' ' THR . 3.4 tm? -82.39 -29.44 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.848 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 11' ' ' TYR . 1.1 tt -62.08 -28.97 69.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 71.5 110.949 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -83.96 -31.78 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.88 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.08 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.14 111.097 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 10' ' ' VAL . 28.8 m -88.44 -27.95 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 75.31 111.152 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -52.6 -52.21 56.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 64.25 110.858 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -67.54 -25.42 65.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.55 110.906 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.774 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -73.57 -46.32 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.25 111.127 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -23.89 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.5 -24.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.575 HD13 ' HG3' ' A' ' 62' ' ' PRO . 2.7 mt -70.32 -30.74 67.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.862 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.106 179.805 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.827 0.346 . . . . 72.51 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -126.1 11.06 7.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.93 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.635 ' CG2' HG22 ' A' ' 54' ' ' VAL . 30.2 t -93.23 -36.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 65.42 111.102 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.29 -13.52 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 63.21 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -92.68 -47.31 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.897 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -71.65 -21.33 61.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.897 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.829 HG22 ' HB1' ' A' ' 117' ' ' ALA . 9.8 p -81.84 -27.27 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 73.12 111.142 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ttp -62.8 -53.39 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.59 -32.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.599 HD13 ' HB ' ' A' ' 46' ' ' THR . 30.6 tp -69.52 -42.01 75.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 71.05 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.774 HG13 ' HB1' ' A' ' 114' ' ' ALA . 96.8 t -72.16 -23.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 62.21 111.109 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.71 -52.27 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.29 62.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 61.22 111.077 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 24' ' ' LEU . 10.6 p -81.14 -22.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.152 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.2 tt -74.66 -28.23 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.895 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -32.67 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.681 ' CD2' HG21 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -85.76 1.15 50.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.31 110.89 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG2' HD12 ' A' ' 107' ' ' LEU . 15.4 mtpp -99.99 -23.81 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.921 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -101.87 1.62 37.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HB3' HD11 ' A' ' 31' ' ' LEU . 29.0 mt-10 -109.23 -0.7 19.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -55.15 -37.85 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 72.03 110.923 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -107.43 45.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 53.42 110.843 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.58 -42.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.921 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -140.49 160.85 57.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 43.21 110.926 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 169.06 19.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 62.04 112.306 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.73 26.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 62.05 112.359 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.94 -27.97 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.704 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -97.07 -20.19 24.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 63.14 112.48 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.3 m-30 -73.78 -30.55 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 72.12 110.927 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.71 -33.76 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.55 111.096 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 35' ' ' GLY . 9.2 p -93.12 -18.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 63.41 111.101 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 35' ' ' GLY . 94.0 t -76.25 -40.24 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.42 111.152 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 36' ' ' TYR . 23.5 t -56.75 -23.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.41 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -52.06 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.913 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -72.84 -23.74 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 34.01 110.91 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.681 HG21 ' CD2' ' A' ' 24' ' ' LEU . 97.1 t -81.11 -22.96 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.117 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.33 -15.68 16.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 73.21 112.49 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.766 HD23 ' HD3' ' A' ' 48' ' ' ARG . 11.3 mt -82.73 -4.28 57.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.957 0.408 . . . . 64.45 110.946 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.599 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.65 -50.91 7.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.092 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.747 HD21 HD23 ' A' ' 80' ' ' LEU . 1.5 pp -59.08 -48.52 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 65.32 110.948 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.766 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.2 ptm180 -64.69 -14.84 60.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 61.15 110.881 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -90.41 -30.17 17.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.841 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.53 -30.28 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.44 110.946 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 76' ' ' LEU . 19.3 mt -56.71 -27.55 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.133 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.78 3.92 77.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 54.35 112.471 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 p -105.7 -25.53 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 61.3 110.926 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.667 HG12 HD13 ' A' ' 69' ' ' ILE . 3.2 t -98.2 -22.56 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.13 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.85 -19.37 64.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.898 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.81 -19.31 60.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mp -102.44 -10.45 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 64.35 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 4.9 mt -47.75 -58.67 7.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 73.22 110.895 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.74 -7.88 22.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 72.13 112.334 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 m -116.55 20.9 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.858 HD22 ' HB1' ' A' ' 127' ' ' ALA . 10.2 mt -114.89 159.19 38.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 72.32 110.934 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.37 24.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 71.12 112.342 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 p -75.26 -5.08 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 70.33 110.867 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 -23.87 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -112.46 -24.61 9.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 50.23 110.806 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -51.48 -54.17 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -16.68 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 62.03 111.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.66 -60.6 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.757 HD12 HD13 ' A' ' 61' ' ' LEU . 65.2 mt -69.91 -45.85 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.41 -21.25 59.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 63.43 110.872 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.57 -14.63 37.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 55.33 112.492 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.64 HG21 HD23 ' A' ' 120' ' ' LEU . 39.0 m -96.21 -44.31 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.324 . . . . 54.2 111.186 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.495 ' HB3' HG23 ' A' ' 51' ' ' ILE . 6.2 mm-40 -60.53 -18.59 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.14 110.943 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -40.57 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 72.23 110.891 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -79.05 -16.28 57.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.931 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 51' ' ' ILE . 2.3 tp -61.09 -25.64 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 35.03 110.911 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -92.75 4.44 53.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.848 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -105.33 -24.41 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.935 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.32 -22.98 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.838 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.757 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.66 -11.62 15.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.914 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.54 -38.05 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.076 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -84.44 -27.27 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 64.52 110.863 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 110' ' ' SER . 9.1 tp -70.07 -57.46 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 54.22 110.915 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.65 -45.13 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 72.52 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -56.63 -31.11 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -88.88 -14.27 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.1 110.871 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.1 tpt -72.79 -56.61 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 73.43 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -69.3 -11.74 61.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -98.12 -30.49 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.963 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.83 -49.47 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.34 111.079 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -95.62 28.24 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.979 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.726 HE22 ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -80.93 153.38 27.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.879 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -78.76 83.71 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 44.12 110.899 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.726 ' HB2' HE22 ' A' ' 92' ' ' GLN . . . -132.92 -41.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.125 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t 60.04 64.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.11 111.118 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -132.18 174.35 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.116 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.853 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.22 -26.31 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -52.22 -29.95 25.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.24 -52.26 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 62.43 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -56.15 -40.29 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 65.13 110.85 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.63 -27.24 38.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 64.43 111.08 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -76.21 -28.81 57.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 71.34 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -86.53 -35.88 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 74.32 110.884 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.02 -40.15 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 63.15 110.899 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.2 ptp -62.69 -31.95 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.849 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' HG2' ' A' ' 25' ' ' LYS . 14.7 tp -79.02 -25.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.8 m -82.98 -20.68 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.31 111.177 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.05 -37.23 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.496 ' CB ' HD11 ' A' ' 24' ' ' LEU . 64.0 p -54.34 -51.96 63.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.41 110.862 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.675 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.4 t-160 -54.15 -31.25 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.853 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -56.56 -32.15 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.16 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.7 mp -68.0 -24.44 65.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.774 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -95.18 -43.12 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.03 111.067 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 111' ' ' HIS . 25.3 t -56.21 -24.38 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 75.41 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.445 ' CG ' HD11 ' A' ' 75' ' ' LEU . 34.9 m-20 -93.5 -18.93 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.829 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -76.95 -23.89 52.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 71.05 111.055 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.42 -58.68 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.921 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -56.37 -25.1 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.877 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 120' ' ' LEU . 2.4 tm? -87.25 -35.26 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.635 HD12 ' CG1' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -59.51 -29.7 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 61.52 110.927 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -96.29 -33.05 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.875 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.67 -33.16 45.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.078 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.47 HG11 ' HB ' ' A' ' 10' ' ' VAL . 9.5 p -74.47 -30.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.09 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.13 -32.93 74.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.863 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -90.07 -18.91 25.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.911 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.858 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -85.85 -56.19 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 71.11 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -51.67 -46.19 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.89 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.8 p -52.05 -32.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.13 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.1 mt -87.43 -25.37 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 62.53 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 54.25 111.095 179.8 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.902 0.382 . . . . 73.14 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 53' ' ' SER . 1.1 pp -117.84 -18.44 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.24 110.917 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.76 ' O ' HG13 ' A' ' 14' ' ' VAL . 6.2 p -61.95 -39.75 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 60.13 111.151 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.676 ' CB ' HD13 ' A' ' 121' ' ' LEU . 2.7 p90 -72.11 -17.2 62.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 73.21 110.922 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt -81.4 -19.05 43.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -98.85 -39.24 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.52 110.87 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 10' ' ' VAL . 18.1 m -55.71 -30.51 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.11 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.3 tpp -66.28 -43.85 85.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.51 -23.84 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.32 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.679 HD12 ' HB ' ' A' ' 46' ' ' THR . 9.1 tt -82.41 -47.39 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 14' ' ' VAL . 21.5 t -59.59 -37.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.35 111.102 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -74.6 -12.69 60.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.35 -29.15 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 35.15 111.105 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 18' ' ' VAL . 7.8 p -87.7 -21.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.161 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -74.09 -28.0 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.935 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.93 -34.13 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.864 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -80.2 -12.58 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.896 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -61.64 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.877 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.18 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -93.53 16.68 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 51.41 110.886 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -93.02 -50.16 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.891 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -96.02 28.78 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.856 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.37 -36.66 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.623 HD13 ' OH ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -132.99 154.78 81.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 75.51 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.77 168.71 20.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 62.32 112.314 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -158.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 74.02 112.372 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 69.2 49.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 73.52 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.26 -46.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 65.41 112.526 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' VAL . 25.5 m-85 -77.86 -4.14 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 73.43 110.913 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.3 -16.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 73.1 111.143 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.04 -42.59 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.43 111.13 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.2 p -62.65 -19.16 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 73.35 111.155 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 36' ' ' TYR . 98.6 t -60.07 -46.58 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.087 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -43.97 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 39' ' ' VAL . 91.4 t -81.45 -23.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.33 111.146 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -11.71 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 75.31 112.542 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -84.99 -12.93 52.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 75.05 110.951 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.679 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -79.27 -47.07 16.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 75.24 111.113 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 17' ' ' LEU . 1.5 pp -61.78 -47.93 82.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 54.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 51' ' ' ILE . 6.4 ptm180 -68.19 -11.97 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.25 -25.83 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.889 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 50' ' ' LEU . 4.1 pp -97.24 -17.94 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 73.5 110.934 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.3 mt -58.01 -32.09 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 63.41 111.168 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 54.12 112.47 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.764 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -59.03 -25.99 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 62.41 110.863 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.473 HG12 HG21 ' A' ' 69' ' ' ILE . 1.7 t -98.23 -14.92 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.45 111.109 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' HA ' HD12 ' A' ' 58' ' ' LEU . 47.2 m-20 -77.52 -24.49 49.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.877 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.77 -50.29 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 65.32 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -86.95 -2.07 58.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.912 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -49.53 -59.11 7.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 74.53 110.924 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 61.12 112.357 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -95.35 17.68 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.52 110.816 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.908 HD21 ' HB1' ' A' ' 127' ' ' ALA . 3.2 mp -107.69 160.79 25.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 75.34 110.897 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 178.13 4.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 64.13 112.347 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -86.51 71.31 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.85 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -175.1 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 43.15 110.85 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 m -86.64 -25.86 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 71.03 110.83 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -51.36 -43.57 61.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.53 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -63.01 -37.22 86.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 52.32 111.118 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -60.29 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.624 HD12 HD22 ' A' ' 61' ' ' LEU . 15.9 mt -59.11 -48.32 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.117 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.57 -20.9 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.02 110.919 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.49 -16.04 23.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 40.32 112.475 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.501 HG21 ' HG ' ' A' ' 120' ' ' LEU . 19.2 m -96.06 -21.91 17.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.313 . . . . 74.13 111.132 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -86.82 -11.06 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.881 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -35.86 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD11 ' CG ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -79.31 -17.19 55.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.891 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' A' ' 47' ' ' LEU . 1.7 tp -59.2 -26.92 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.892 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -88.37 4.74 45.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 54.22 110.912 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -108.55 -19.38 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.06 -17.19 63.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.03 110.894 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.46 -19.44 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.489 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.0 -34.41 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 53.31 111.089 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -86.89 -32.22 20.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.866 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.513 HD13 ' OG ' ' A' ' 110' ' ' SER . 10.6 tp -64.76 -58.87 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.15 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.632 HG12 HG11 ' A' ' 40' ' ' VAL . 13.0 mt -52.46 -50.74 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.03 111.154 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.29 -24.0 62.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -81.0 -30.13 35.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.881 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 tpp -70.29 -46.66 63.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.22 110.874 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -70.47 -15.65 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.559 HD11 HD23 ' A' ' 98' ' ' LEU . 21.1 tp -98.24 -27.18 14.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.897 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.25 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.53 111.092 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.26 -13.94 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -52.47 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.897 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 95' ' ' VAL . 9.1 m120 -51.3 -48.39 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.872 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 57.25 23.68 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.085 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.1 t -56.76 -23.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.24 111.107 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.8 t -93.23 40.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 71.21 111.161 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t 51.8 71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.879 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD23 HD11 ' A' ' 89' ' ' LEU . 16.0 tp -150.18 33.19 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.979 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -98.6 -58.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.27 -41.97 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.13 110.927 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -62.61 -37.15 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.96 74.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 33.33 111.116 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -61.32 -64.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 63.03 110.901 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -56.45 -26.96 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -75.64 -29.24 59.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 28' ' ' LEU . 7.7 ttm -63.49 -54.3 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.887 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.67 -23.77 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.6 m -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.35 111.172 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.8 -38.81 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 64.24 111.093 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.513 ' OG ' HD13 ' A' ' 83' ' ' LEU . 3.2 m -59.4 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.842 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 23.6 t-160 -53.53 -30.44 41.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 71.43 110.881 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m -58.54 -41.64 86.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 60.42 111.161 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.0 mp -59.32 -26.0 64.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.491 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -92.42 -42.67 9.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.123 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' HIS . 88.6 t -55.82 -35.41 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 55.15 111.178 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.663 ' CG ' HD11 ' A' ' 75' ' ' LEU . 23.8 m-20 -81.6 -12.78 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.848 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -91.85 15.33 13.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 32.1 111.088 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.488 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 3.7 mptt -126.16 -51.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -26.09 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.501 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.8 OUTLIER -79.63 -37.44 36.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 54.11 110.939 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.676 HD13 ' CB ' ' A' ' 11' ' ' TYR . 6.7 tp -53.71 -37.5 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 63.41 110.911 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.78 -26.13 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.16 -46.88 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.106 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 10' ' ' VAL . 30.0 m -64.87 -37.09 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 62.44 111.166 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 129' ' ' VAL . 10.1 t0 -54.62 -51.39 65.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.873 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.56 -37.87 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.891 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.908 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -58.01 -45.19 87.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.31 111.119 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -62.37 -17.06 58.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.916 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 125' ' ' ASP . 40.8 t -84.85 -41.02 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.12 111.108 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.48 -36.26 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 53.53 111.113 179.816 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.83 0.348 . . . . 74.3 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -56.35 -31.41 63.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 71.34 110.939 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' A' ' 53' ' ' SER . 19.1 m -66.46 -13.78 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.086 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -35.22 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -51.91 -29.7 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.927 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -86.67 -44.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.063 HG13 ' HB1' ' A' ' 117' ' ' ALA . 25.4 t -59.79 -30.82 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 64.35 111.106 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.9 ttp -71.06 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 63.25 110.891 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.65 -29.71 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.898 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.732 HD12 ' HB ' ' A' ' 46' ' ' THR . 8.7 tt -71.43 -45.85 61.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.933 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 14' ' ' VAL . 85.0 t -56.29 -24.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.17 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -85.54 -49.66 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 64.01 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.768 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.2 p -87.74 -19.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.146 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.825 HD23 ' HD3' ' A' ' 25' ' ' LYS . 2.7 mt -89.7 -28.07 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 43.2 110.912 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.71 -31.83 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.871 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 110' ' ' SER . 2.3 pp -71.47 -29.03 64.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.825 ' HD3' HD23 ' A' ' 22' ' ' LEU . 59.2 mtpt -51.47 -51.87 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.908 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -73.98 -17.84 60.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.904 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.65 -7.48 59.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD21 ' SD ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -51.71 -53.65 36.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.949 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 t -97.56 41.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.835 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -129.93 -63.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.886 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -97.31 159.9 30.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 72.44 110.895 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HD2' HD23 ' A' ' 31' ' ' LEU . 53.6 Cg_endo -69.73 167.51 24.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.263 . . . . 74.33 112.369 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.81 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 74.23 112.342 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.81 -17.59 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 72.35 110.884 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.78 9.43 34.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.793 -0.718 . . . . 40.23 112.461 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.33 -25.34 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.365 . . . . 74.0 110.908 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.49 -30.78 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 71.11 111.143 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.9 -22.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 53.3 111.116 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 43' ' ' VAL . 25.9 t -76.43 -35.81 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 54.22 111.093 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.554 HG11 ' CG1' ' A' ' 84' ' ' ILE . 18.3 t -64.61 -19.04 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.104 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -50.15 30.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.895 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -71.27 -11.21 60.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.928 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.606 HG11 HG23 ' A' ' 21' ' ' VAL . 86.1 t -96.11 -24.9 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 63.23 111.185 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -11.62 27.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 72.22 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.804 HD23 ' HD3' ' A' ' 48' ' ' ARG . 16.0 mt -82.73 -17.84 42.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 74.1 110.899 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.732 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.59 -48.82 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.42 111.146 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.727 HD23 HD11 ' A' ' 17' ' ' LEU . 1.8 pp -61.63 -47.54 84.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.898 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.804 ' HD3' HD23 ' A' ' 45' ' ' LEU . 8.7 ptm180 -68.62 -11.93 60.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.859 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -96.66 -21.71 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.903 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.18 -25.58 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.68 HD11 HD23 ' A' ' 76' ' ' LEU . 10.9 mt -55.73 -31.25 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.01 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.15 -10.51 73.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 45.04 112.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.797 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -87.05 -29.82 21.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 62.21 110.864 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.778 HG12 HD13 ' A' ' 69' ' ' ILE . 2.5 t -86.71 -23.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 61.32 111.144 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HA ' HD23 ' A' ' 58' ' ' LEU . 27.6 t0 -72.99 -16.04 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.807 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -71.13 -15.97 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.79 -4.9 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.919 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -47.58 -58.95 6.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 65.12 110.882 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.75 -8.03 22.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 75.3 112.327 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.8 m -117.15 22.79 12.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.31 110.842 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.774 ' CD2' ' HB1' ' A' ' 127' ' ' ALA . 9.4 mt -115.69 159.35 39.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 64.22 110.959 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HG3' HD12 ' A' ' 130' ' ' LEU . 54.3 Cg_endo -69.74 176.25 7.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 75.43 112.366 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.7 m -76.47 -5.05 45.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.89 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.93 -19.09 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.41 110.878 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -112.13 -37.28 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 70.13 110.816 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -52.06 -46.68 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 71.25 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -12.92 60.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 72.45 111.188 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' HB1' ' A' ' 123' ' ' ALA . 1.3 tt0 -81.71 -56.61 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.881 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.778 HD13 HG12 ' A' ' 54' ' ' VAL . 62.9 mt -65.89 -50.56 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.22 111.166 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.756 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.1 tt0 -52.2 -29.51 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.907 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.44 -33.63 7.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 63.31 112.476 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.799 HG21 HD23 ' A' ' 120' ' ' LEU . 90.7 m -70.23 -53.51 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 61.25 111.165 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.27 -25.87 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.891 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -46.53 80.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -75.68 -16.34 60.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.921 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD23 HD11 ' A' ' 51' ' ' ILE . 1.6 tp -58.15 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 65.52 110.869 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -90.56 4.64 50.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -107.66 -25.48 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 54.4 110.912 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -63.76 -18.28 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 45.21 110.891 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.77 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.49 -16.85 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 55.5 110.909 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.16 -34.28 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 62.24 111.048 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -86.13 -29.54 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.924 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.5 tp -68.66 -54.87 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 70.12 110.922 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.554 ' CG1' HG11 ' A' ' 40' ' ' VAL . 43.9 mt -61.07 -54.05 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.5 111.109 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.11 -47.17 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 75.04 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.65 -23.96 67.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -67.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.884 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.69 -28.42 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -81.94 -31.92 31.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.4 32.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.085 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.05 -29.66 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -55.81 110.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -80.69 87.44 5.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 53.35 110.869 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.47 154.85 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.091 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.39 -30.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.25 111.141 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -52.01 143.62 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.32 111.131 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.9 m -95.87 26.05 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 51.53 110.853 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 mt -105.22 19.49 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 62.54 110.931 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -30.61 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.34 -40.75 96.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 53.2 110.856 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.93 -33.27 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.896 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.13 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.131 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -70.07 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -37.06 62.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 61.24 110.893 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -71.47 -26.26 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.933 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.402 ' SD ' HD21 ' A' ' 28' ' ' LEU . 24.2 ttm -69.43 -56.74 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 64.32 110.868 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 25' ' ' LYS . 14.1 tp -59.23 -21.43 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.956 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 m -85.01 -21.64 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 73.34 111.103 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.07 -19.6 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.14 111.103 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.693 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -76.72 -56.95 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.831 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.1 t60 -50.78 -31.26 16.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 72.3 110.834 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.657 HG22 ' OD2' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -53.96 -40.92 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.172 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.4 mp -55.13 -27.19 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.938 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.768 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.1 -44.87 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 72.03 111.067 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' HIS . 30.4 t -56.0 -24.55 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 52.44 111.138 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.657 ' OD2' HG22 ' A' ' 112' ' ' THR . 20.2 m-20 -90.11 -21.17 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.55 110.864 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 1.063 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -81.58 -23.63 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.097 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -68.72 -57.02 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.912 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.5 -27.21 36.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.799 HD23 HG21 ' A' ' 72' ' ' THR . 3.3 tm? -79.16 -37.73 37.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.77 -28.76 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.918 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.74 -31.98 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.878 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 120' ' ' LEU . . . -66.35 -54.3 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.096 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.96 -34.39 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 53.11 111.139 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -59.45 -40.85 88.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.91 -42.14 16.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.895 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.774 ' HB1' ' CD2' ' A' ' 61' ' ' LEU . . . -57.49 -42.04 81.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 53.34 111.091 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -58.4 -21.63 51.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.31 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.7 t -86.52 -38.42 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 73.23 111.121 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.404 HD12 ' HG3' ' A' ' 62' ' ' PRO . 11.9 mt -73.75 -33.19 64.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 52.14 111.117 179.828 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 73.12 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.4 tp -125.84 -34.77 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 64.33 110.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.645 ' CG2' HG11 ' A' ' 124' ' ' VAL . 11.0 m -65.84 -13.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.21 111.134 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -0.95 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.943 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.89 -52.17 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -67.63 -20.15 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 117' ' ' ALA . 5.5 p -84.61 -27.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 43.41 111.107 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.6 tpp -78.03 -24.23 47.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.84 -23.83 55.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.865 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.09 -44.3 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.543 HG13 ' HB1' ' A' ' 114' ' ' ALA . 58.8 t -53.87 -26.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 63.24 111.139 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -56.86 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.89 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.04 111.124 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.517 ' HA ' HD23 ' A' ' 24' ' ' LEU . 9.6 p -79.17 -8.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.138 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.616 HD12 ' HD3' ' A' ' 25' ' ' LYS . 43.8 tp -92.44 -26.57 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 50.24 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.87 -29.92 62.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.926 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.7 pp -79.52 -2.09 40.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.93 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 107' ' ' LEU . 24.1 mtpt -81.1 -64.78 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.73 -23.54 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.77 22.02 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.879 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.2 tm? -85.49 -26.77 26.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 70.31 110.961 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -113.03 50.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.857 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.81 -42.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.1 mt -104.58 159.61 28.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 72.22 110.895 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 168.44 21.57 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 73.12 112.376 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -10.47 28.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 71.21 112.37 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -76.21 -25.24 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -87.89 -18.07 56.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 73.22 112.444 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 40' ' ' VAL . 18.1 m-85 -83.39 -40.28 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 73.13 110.919 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.1 -37.96 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.105 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -72.46 -20.78 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 71.33 111.083 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG12 HG23 ' A' ' 43' ' ' VAL . 95.4 t -90.96 -33.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 71.33 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.868 HG13 HD21 ' A' ' 83' ' ' LEU . 85.6 t -51.93 -29.19 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.03 111.16 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.05 -43.06 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.924 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.59 -28.78 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 71.23 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.611 HG23 HG12 ' A' ' 39' ' ' VAL . 70.6 t -82.78 -18.17 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -16.57 14.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 74.3 112.489 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD23 ' HD3' ' A' ' 48' ' ' ARG . 10.9 mt -84.82 -3.62 58.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 73.12 110.933 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.59 -46.12 11.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 60.32 111.17 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 HD23 ' A' ' 80' ' ' LEU . 1.7 pp -63.73 -47.39 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.935 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.3 ptm180 -67.79 -12.66 61.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.867 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -97.64 -30.4 12.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.918 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 14' ' ' VAL . 3.6 pp -91.19 -19.48 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 51.44 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 48' ' ' ARG . 4.8 mt -54.34 -31.27 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 61.33 111.089 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.02 -19.35 73.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 74.13 112.489 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.574 ' CB ' HG12 ' A' ' 10' ' ' VAL . 36.6 p -67.45 -43.61 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 74.33 110.886 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG12 HG21 ' A' ' 69' ' ' ILE . 11.8 t -84.0 -32.06 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.05 111.134 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -57.15 -32.15 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.49 -13.85 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.835 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -7.93 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 62.1 110.882 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -48.35 -58.37 8.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 73.21 110.899 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -6.98 19.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 73.04 112.31 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -104.5 25.82 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.858 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 69' ' ' ILE . 1.8 mp -98.91 164.09 17.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 75.34 110.931 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.08 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 74.2 112.381 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m 72.09 8.19 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 52.11 110.867 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.4 t -110.51 -35.86 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.859 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -105.98 20.17 19.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 41.23 110.859 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' HA ' HD22 ' A' ' 61' ' ' LEU . 35.3 ttt180 -71.1 -41.93 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.872 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -54.86 -23.31 17.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 111.109 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -58.5 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 53.33 110.887 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 61' ' ' LEU . 21.2 mt -65.36 -51.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 65.1 111.115 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -29.58 18.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.04 -32.58 8.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 60.21 112.519 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.602 HG21 ' HG ' ' A' ' 120' ' ' LEU . 97.6 m -65.46 -51.71 58.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 61.25 111.134 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.83 -18.95 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -45.72 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 116' ' ' ASP . 4.3 pp -75.39 -18.79 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.96 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 75' ' ' LEU . 2.5 tp -59.46 -23.49 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.889 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -93.23 5.05 52.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.25 110.834 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -106.67 -23.59 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.895 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.555 ' OD1' HG22 ' A' ' 112' ' ' THR . 60.4 m-20 -65.26 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.937 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.798 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -100.66 -14.97 17.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.905 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -58.45 -60.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.2 111.081 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -68.17 -19.89 64.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.868 HD21 HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -78.44 -32.87 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.894 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.748 HG13 HD23 ' A' ' 83' ' ' LEU . 22.3 mt -78.98 -28.2 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 50.34 111.133 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.43 -52.25 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 71.43 110.905 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 4.3 tppt? -66.03 -22.36 66.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 55.31 110.937 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.517 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 4.6 tpt -64.94 -51.2 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.864 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -76.23 -14.05 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 71.02 110.854 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.98 -7.71 29.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.927 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.42 -5.55 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 55.24 111.095 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -120.48 -8.56 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.54 110.89 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.86 161.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 64.25 110.922 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -100.39 78.09 2.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.9 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.89 133.99 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -55.88 -25.19 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.1 111.114 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -51.67 141.48 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.159 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -96.84 26.17 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.53 110.899 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.11 20.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -27.02 52.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 63.35 110.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.57 -25.83 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.856 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.35 -43.88 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.897 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.452 ' HB1' ' HG3' ' A' ' 86' ' ' LYS . . . -58.37 -24.96 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.32 111.1 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -64.08 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -52.36 -43.22 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.881 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 53.01 110.942 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 25.9 ttm -65.32 -46.17 81.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.857 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 25' ' ' LYS . 13.3 tp -61.38 -31.57 71.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 73.12 110.939 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.0 m -62.23 -20.97 64.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 51.43 111.181 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -96.42 -24.71 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 62.4 111.127 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.643 ' OG ' HD12 ' A' ' 107' ' ' LEU . 70.7 p -65.58 -49.2 69.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.914 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -58.81 -20.74 52.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.03 110.848 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' ' 79' ' ' ASP . 6.3 m -66.9 -28.63 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.153 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.2 mp -72.03 -24.52 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 53.51 110.887 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.23 -43.67 7.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 61.22 111.091 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 112' ' ' THR . 3.1 p -57.03 -26.84 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 72.13 111.14 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.476 ' CG ' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -91.88 -10.63 38.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.905 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -91.5 -8.38 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.118 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -49.81 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.965 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -52.49 -34.4 49.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 65.14 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.602 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.6 OUTLIER -67.11 -42.1 85.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 61.44 110.955 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.76 -42.88 62.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -79.54 -33.66 41.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 44.32 110.865 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.82 -58.13 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 62.35 111.102 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.645 HG11 ' CG2' ' A' ' 10' ' ' VAL . 11.1 p -66.83 -25.27 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 65.34 111.12 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.98 -48.46 78.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.844 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.65 -36.77 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 61' ' ' LEU . . . -60.32 -43.05 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 70.11 111.115 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -61.83 -33.41 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 64.23 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.91 -36.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 43.1 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.5 mt -67.9 -23.48 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 63.1 110.909 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.106 179.78 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.807 0.337 . . . . 72.04 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 9' ' ' LEU . 7.3 tp -83.26 -35.82 25.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 65.12 110.926 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.626 HG23 HD13 ' A' ' 50' ' ' LEU . 3.7 p -69.74 -29.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 74.23 111.126 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.494 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -79.92 -20.92 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.928 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 mt -86.72 -20.82 27.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.83 -18.78 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.664 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 5.3 p -85.99 -27.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 53.51 111.127 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -73.05 -20.41 60.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.53 110.837 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.83 -18.01 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 74.25 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.7 HD13 ' OG1' ' A' ' 46' ' ' THR . 49.8 tp -87.42 -48.54 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 74.13 110.881 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' A' ' 114' ' ' ALA . 24.3 t -58.71 -20.89 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.1 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -88.16 -16.66 32.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.839 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.12 -18.46 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 61.4 111.113 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.727 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.0 p -92.96 -21.32 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 73.43 111.109 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -90.35 -27.91 19.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.904 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.25 -23.87 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 61.02 110.895 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pp -79.15 -30.38 43.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -50.92 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.909 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.73 -24.05 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.924 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.75 -8.81 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.885 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.7 tm? -54.95 -43.9 73.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 53.45 110.916 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 p -105.4 35.09 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.11 110.887 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.501 HE22 HD23 ' A' ' 31' ' ' LEU . 1.5 tm0? -131.91 -39.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.941 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD23 HE22 ' A' ' 30' ' ' GLN . 1.0 OUTLIER -126.7 158.4 68.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 74.42 110.885 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.84 17.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 74.02 112.372 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -31.42 20.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 75.42 112.418 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -49.83 -34.42 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.717 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -82.2 -30.31 34.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 75.51 112.52 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.754 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -56.79 -38.16 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 73.42 110.895 -179.817 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.448 ' N ' ' HE1' ' A' ' 87' ' ' MET . 0.3 OUTLIER -64.07 -25.03 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 70.02 111.123 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.5 t -91.57 -16.04 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.096 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 35' ' ' GLY . 22.0 t -90.18 -35.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 44.41 111.127 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 36' ' ' TYR . 58.6 t -59.48 -19.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 55.33 111.154 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -51.68 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 63.22 110.901 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -72.01 -18.42 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 55.33 110.917 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.645 ' O ' HD11 ' A' ' 17' ' ' LEU . 59.9 t -94.56 -19.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 52.12 111.09 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.42 -13.86 21.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 34.14 112.502 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.771 HD23 ' HD3' ' A' ' 48' ' ' ARG . 15.4 mt -85.29 -21.85 28.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 61.14 110.907 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.7 ' OG1' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.42 -49.46 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.13 111.088 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 48' ' ' ARG . 1.6 pp -58.53 -47.58 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.15 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.771 ' HD3' HD23 ' A' ' 45' ' ' LEU . 7.1 ptm180 -70.87 -9.21 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 63.11 110.886 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -97.29 -25.95 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 64.52 110.908 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.626 HD13 HG23 ' A' ' 10' ' ' VAL . 2.3 pp -93.89 -24.52 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.938 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 48' ' ' ARG . 12.8 mt -55.25 -30.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.123 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.39 -15.89 75.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 72.5 112.531 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' HD12 ' A' ' 57' ' ' LEU . 10.4 m -86.38 -22.28 26.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.389 . . . . 73.43 110.872 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.537 HG12 HG21 ' A' ' 69' ' ' ILE . 2.5 t -98.82 -47.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 42.32 111.132 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' HA ' HD23 ' A' ' 58' ' ' LEU . 2.6 t70 -56.85 -33.71 67.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 63.41 110.891 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -15.21 60.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.863 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 53' ' ' SER . 17.8 mt -101.44 10.53 40.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 71.11 110.907 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.33 -58.47 8.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 55.33 110.927 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.74 -6.77 19.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 75.03 112.356 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -90.64 -6.1 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 53.04 110.877 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.712 ' HB3' ' HB1' ' A' ' 127' ' ' ALA . 0.4 OUTLIER -129.08 159.64 67.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 74.54 110.906 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.77 157.58 59.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 60.13 112.325 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -53.17 -34.34 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 71.23 110.833 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -51.57 -29.33 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 63.35 110.847 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -102.87 -19.69 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.903 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -63.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 73.11 110.919 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -29.63 15.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 61.04 111.135 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.34 -57.62 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.537 HG21 HG12 ' A' ' 54' ' ' VAL . 7.2 mt -61.38 -57.0 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.133 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -54.19 -25.51 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.95 -12.55 55.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.721 . . . . 45.35 112.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 75' ' ' LEU . 83.8 m -96.21 -49.6 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.719 0.295 . . . . 61.54 111.158 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -59.32 -27.53 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.913 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -42.87 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -77.04 -16.94 59.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.954 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 51' ' ' ILE . 1.9 tp -57.8 -34.24 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 52.23 110.962 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -85.89 4.8 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.908 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -106.92 -20.45 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.919 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' OD1' HG22 ' A' ' 112' ' ' THR . 78.8 m-20 -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.13 110.877 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.823 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -106.61 -16.64 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.945 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.542 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -60.35 -27.63 67.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 63.41 111.14 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.79 -30.22 13.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.876 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 110' ' ' SER . 6.2 tp -67.9 -35.0 77.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.53 110.864 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.75 ' CG1' HG11 ' A' ' 40' ' ' VAL . 48.3 mt -83.16 -34.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.091 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.32 -21.27 58.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.854 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -86.45 -37.26 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.915 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.448 ' HE1' ' N ' ' A' ' 37' ' ' VAL . 7.6 ptm -67.44 -29.72 69.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.83 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -85.66 -18.27 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 72.54 110.875 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 tp -98.06 -19.3 18.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.934 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.63 -47.96 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.44 111.12 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -55.31 -26.09 38.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 73.23 110.937 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.6 133.95 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.28 75.33 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.05 110.877 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 144.95 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 75.35 111.1 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.57 43.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -153.58 168.41 26.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.12 111.138 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -91.49 47.16 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.833 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.4 tp -105.73 -25.81 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 74.13 110.957 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.7 t -52.46 -33.29 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -52.3 -41.13 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.856 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.15 -34.36 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.936 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.52 -3.96 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 54.21 111.086 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -40.24 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.837 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -22.44 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 74.55 110.919 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.21 -25.26 62.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.941 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.0 ptm -77.06 -32.04 56.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.04 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tt -79.02 -22.93 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.923 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.5 m -74.53 -21.27 59.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.177 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.19 -34.11 26.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.02 111.106 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 83' ' ' LEU . 94.2 p -56.34 -55.16 36.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.854 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.13 -28.31 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 64.12 110.836 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.415 HG22 ' OD1' ' A' ' 79' ' ' ASP . 2.4 m -57.05 -24.32 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 64.42 111.124 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.1 mp -79.43 -21.9 44.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.727 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.04 -42.61 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 65.55 111.07 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.91 -29.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 63.15 111.149 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.679 ' CG ' HD11 ' A' ' 75' ' ' LEU . 2.0 t0 -82.36 -31.81 29.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -66.75 -29.33 69.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.077 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -76.04 -45.68 33.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -63.66 -28.41 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.911 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -42.39 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.882 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.59 -30.41 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.03 110.96 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -29.96 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 60.33 110.879 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.4 -54.49 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 51.52 111.066 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 10' ' ' VAL . 11.1 p -66.47 -29.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.34 111.107 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 129' ' ' VAL . 4.0 t70 -51.85 -55.57 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.896 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.25 -33.18 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 62.12 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.712 ' HB1' ' HB3' ' A' ' 61' ' ' LEU . . . -61.99 -46.85 87.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.02 111.121 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -66.88 -21.24 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 52.53 110.877 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 125' ' ' ASP . 93.3 t -86.96 -38.34 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.32 111.1 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.82 -22.49 42.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.1 111.086 179.788 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.904 0.383 . . . . 63.33 110.816 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -59.66 -21.45 60.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.5 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.751 HG21 HG11 ' A' ' 124' ' ' VAL . 85.7 t -58.76 -41.92 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 71.42 111.161 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.68 -18.03 57.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.877 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 11' ' ' TYR . 2.4 mm? -74.15 -18.58 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -100.19 -46.12 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.14 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.757 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 9.7 m -51.48 -29.73 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 52.11 111.143 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -66.02 -47.05 75.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -52.21 -29.49 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.888 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.893 HD11 HD23 ' A' ' 47' ' ' LEU . 8.4 tt -81.06 -51.18 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.598 HG13 ' HB1' ' A' ' 114' ' ' ALA . 62.3 t -55.71 -23.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.31 111.152 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -82.9 -55.56 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' ND2' ' A' ' 42' ' ' ASN . . . -51.35 -40.4 59.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.09 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 17' ' ' LEU . 5.4 p -74.64 -27.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.109 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -31.81 73.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.934 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.9 -45.36 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.931 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -74.74 -9.53 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.912 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 107' ' ' LEU . 3.8 mmmt -84.63 -24.22 29.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.902 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -111.33 -28.76 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.901 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -87.92 0.48 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.585 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -51.7 -38.56 55.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.898 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -100.23 42.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.836 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.741 ' HB3' HD23 ' A' ' 31' ' ' LEU . 2.1 tp-100 -130.62 -61.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.921 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.741 HD23 ' HB3' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -112.25 159.96 31.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 73.42 110.882 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.08 22.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 71.14 112.327 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.22 31.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 52.2 112.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.32 -26.53 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.07 -1.37 54.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 33.22 112.481 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -98.57 -24.81 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 75.31 110.908 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.33 -26.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 73.12 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 p -93.04 -22.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 64.51 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 43' ' ' VAL . 82.8 t -74.08 -39.21 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.135 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.55 -24.51 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 61.43 111.09 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.49 -54.22 35.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.885 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.556 ' ND2' ' HB1' ' A' ' 20' ' ' ALA . 1.8 p-10 -70.09 -17.28 63.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 51.12 110.91 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.847 HG12 HD22 ' A' ' 113' ' ' LEU . 57.8 t -82.5 -29.03 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.176 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.46 31.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 53.33 112.453 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.809 HD23 ' HD3' ' A' ' 48' ' ' ARG . 8.7 mt -84.84 -19.56 32.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 64.31 110.925 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.621 ' HB ' HD12 ' A' ' 17' ' ' LEU . 3.9 m -69.31 -51.85 33.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.112 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.893 HD23 HD11 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 40.03 110.936 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.809 ' HD3' HD23 ' A' ' 45' ' ' LEU . 6.9 ptm180 -65.17 -13.94 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.875 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -92.28 -30.58 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 50' ' ' LEU . 1.5 pp -90.46 -25.85 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 62.54 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 48' ' ' ARG . 14.6 mt -55.79 -30.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.093 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.03 -8.56 64.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 30.31 112.473 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.7 p -91.35 -33.16 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 73.33 110.894 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.64 HG12 HG21 ' A' ' 69' ' ' ILE . 12.8 t -92.5 -29.13 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 70.23 111.086 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -55.69 -30.7 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 55.05 110.846 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -79.01 -25.52 43.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD23 HD11 ' A' ' 61' ' ' LEU . 2.9 tp -86.02 -14.05 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.89 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt -50.71 -60.39 5.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 75.35 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.74 -9.45 26.15 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.269 . . . . 72.41 112.326 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t -98.47 2.27 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 44.14 110.862 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.692 HD21 ' HB1' ' A' ' 127' ' ' ALA . 1.5 mp -98.78 160.22 28.41 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 75.34 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.604 ' CG ' HD13 ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.7 -170.62 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 72.2 112.361 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.1 p -97.7 53.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.829 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.8 t -152.86 -46.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -102.03 21.88 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 54.14 110.881 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -86.78 -43.25 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 73.13 110.847 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -62.52 -30.3 71.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.126 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.56 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.855 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.674 HD12 HD22 ' A' ' 61' ' ' LEU . 17.6 mt -62.12 -53.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.14 111.192 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.81 -27.76 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 43.22 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -97.48 -9.15 55.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 75.22 112.448 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 1.014 HG21 HD13 ' A' ' 120' ' ' LEU . 44.9 m -96.07 -52.18 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 45.12 111.129 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -57.86 -23.1 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -40.89 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.922 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -78.83 -15.75 57.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.935 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.4 -21.79 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.925 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -97.24 4.42 50.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.57 -23.37 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.894 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.457 ' OD1' HG22 ' A' ' 112' ' ' THR . 88.0 m-20 -66.65 -20.3 65.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 60.21 110.885 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.38 -14.44 14.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.904 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.544 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.36 -33.38 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 60.3 111.124 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -88.72 -29.18 20.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.877 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.3 tp -68.95 -57.95 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.3 mt -52.86 -36.77 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 61.32 111.166 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.37 -40.67 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.901 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -78.7 -16.84 56.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 74.14 110.88 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.23 -51.3 25.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.07 -13.44 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.892 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 tp -98.04 -20.51 17.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 70.41 110.937 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.94 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.082 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.05 28.71 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.876 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 156.63 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -79.26 75.25 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.908 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.61 156.62 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.081 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 p -104.21 -26.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 63.03 111.126 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.1 t -58.41 163.24 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.14 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.6 m -97.87 27.61 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.34 110.867 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.2 tt -80.63 -24.98 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 m -52.14 -30.06 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -51.97 -45.0 64.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -59.87 -45.5 92.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 54.44 110.864 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.83 -26.66 68.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.117 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -62.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -60.07 -41.52 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.887 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -63.22 -25.08 68.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.899 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.5 ttp -68.62 -59.15 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.858 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.2 tt -57.2 -24.18 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.876 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -68.72 -19.83 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.52 111.114 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.66 -31.28 13.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.42 111.128 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.744 ' HA ' HD22 ' A' ' 83' ' ' LEU . 84.9 p -60.16 -51.27 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.857 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -55.31 -25.98 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.925 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.457 HG22 ' OD1' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -61.83 -20.22 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.33 111.134 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.847 HD22 HG12 ' A' ' 43' ' ' VAL . 5.3 mp -81.09 -24.68 37.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 74.22 110.939 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.598 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.08 -39.64 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 63.0 111.095 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.86 -29.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 50.01 111.163 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.748 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -85.03 -44.41 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.898 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.757 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -57.14 -22.86 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 55.34 111.094 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 121' ' ' LEU . 6.9 tptp -73.37 -65.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.867 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -64.18 -22.37 66.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 60.34 110.896 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 1.014 HD13 HG21 ' A' ' 72' ' ' THR . 12.9 tp -72.28 -33.02 67.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 64.44 110.969 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -66.64 -26.48 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 62.03 110.93 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.06 -50.07 13.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.91 -31.0 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.104 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 10' ' ' VAL . 91.3 t -86.68 -37.77 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 53.13 111.114 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -53.69 -51.03 64.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.837 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -71.59 -34.48 69.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 71.22 110.896 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.703 ' HA ' HD12 ' A' ' 130' ' ' LEU . . . -61.39 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.077 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -25.1 59.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.7 t -82.59 -35.17 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 61.54 111.128 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 127' ' ' ALA . 4.4 mt -55.05 -34.16 63.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 62.52 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 32.31 111.091 179.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.782 0.325 . . . . 72.01 111.121 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -150.88 128.24 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 73.03 110.873 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.3 mt -100.24 58.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.939 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -64.06 145.97 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 74.41 110.815 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -131.58 117.63 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.873 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.81 98.11 9.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 71.2 111.145 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -106.89 -37.33 6.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 62.11 110.873 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -91.6 123.46 35.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 65.21 110.861 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.3 pt? -102.29 17.61 23.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 70.03 110.906 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.692 HG11 HG21 ' A' ' 124' ' ' VAL . 92.8 t -93.15 -33.72 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.04 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -88.48 0.51 56.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.912 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -85.1 -57.2 3.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 64.24 110.909 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.82 -49.49 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.5 110.876 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 6.4 p -52.23 -28.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.41 111.106 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -62.45 -38.17 88.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.6 -31.16 71.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' HB ' ' A' ' 46' ' ' THR . 8.6 tt -71.39 -50.08 35.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.543 HG13 ' HB1' ' A' ' 114' ' ' ALA . 26.5 t -54.36 -26.23 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 -48.86 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -24.02 67.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.097 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.574 ' HB ' HG13 ' A' ' 43' ' ' VAL . 9.6 p -91.46 -18.73 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.137 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 tp -81.74 -26.34 34.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.942 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -73.07 -33.02 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.878 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.3 pp -79.89 -2.39 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 54.35 110.924 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -89.68 -19.79 24.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -107.68 -25.46 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 61.14 110.845 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -80.52 -6.21 57.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.2 110.888 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.558 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.83 -41.36 61.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.12 110.89 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -97.42 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 62.12 110.83 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.54 -72.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 72.45 110.924 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.95 159.36 31.65 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 74.4 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.11 22.47 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 65.42 112.365 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -17.32 37.94 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.696 2.264 . . . . 71.5 112.375 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.575 ' O ' HG12 ' A' ' 37' ' ' VAL . 36.3 tp10 -62.74 -31.9 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.23 110.893 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.37 -21.08 42.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 72.53 112.491 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -74.93 -27.74 60.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.952 0.406 . . . . 71.35 110.912 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 34' ' ' GLU . 10.5 p -53.64 -28.89 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.42 111.109 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -87.81 -24.32 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.01 111.097 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.5 t -72.78 -42.57 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.04 111.144 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG11 HG12 ' A' ' 84' ' ' ILE . 40.7 t -54.86 -25.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.164 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.65 -55.31 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.904 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -70.16 -11.63 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 64.53 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 39' ' ' VAL . 85.3 t -96.07 -24.29 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.25 111.109 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.05 -10.51 29.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 75.24 112.516 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD23 ' HD3' ' A' ' 48' ' ' ARG . 11.9 mt -91.32 -4.03 56.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 60.42 110.921 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.686 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -88.34 -25.12 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.165 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.648 ' HA ' HD23 ' A' ' 50' ' ' LEU . 3.1 pp -87.2 -42.85 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.748 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.2 ptm180 -64.42 -16.2 61.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.15 110.912 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -33.1 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.03 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.648 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -80.72 -26.21 37.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.906 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' A' ' 76' ' ' LEU . 19.1 mt -59.92 -30.32 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.116 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.91 -2.21 76.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 72.41 112.481 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -31.36 16.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 70.24 110.845 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG12 HG21 ' A' ' 69' ' ' ILE . 11.6 t -87.31 -25.4 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.22 111.161 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.98 -28.11 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.835 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.5 -27.21 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.861 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.16 -12.86 42.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.953 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 61' ' ' LEU . 1.5 mt -51.37 -58.86 9.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 74.03 110.945 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.8 -6.22 18.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 72.42 112.344 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 t -104.74 21.06 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.848 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -129.55 160.35 64.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 62.23 110.923 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 75.45 112.316 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -107.77 53.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.91 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -144.94 -42.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -87.64 -19.03 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 54.31 110.863 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.544 ' N ' HD11 ' A' ' 61' ' ' LEU . 7.2 tmm_? -53.21 -38.29 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 54.23 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -20.49 33.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.141 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 123' ' ' ALA . 1.3 tm-20 -85.81 -48.62 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.404 HG21 HG12 ' A' ' 54' ' ' VAL . 8.6 mt -69.58 -56.76 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 45.45 111.157 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -15.53 58.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.901 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.445 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -99.26 -20.87 16.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 63.04 112.521 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.691 HG21 ' HB2' ' A' ' 120' ' ' LEU . 55.1 m -96.0 -42.59 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 74.24 111.128 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.99 -16.54 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 61.43 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -37.75 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -83.06 -16.7 45.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.25 110.959 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.497 ' HB3' HD11 ' A' ' 51' ' ' ILE . 3.2 tp -59.51 -22.98 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.4 110.913 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -95.31 4.48 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 61.14 110.933 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -107.27 -23.27 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.859 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -66.62 -20.21 65.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.789 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.7 -15.47 14.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 55.13 110.879 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.553 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -61.05 -33.66 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 71.21 111.136 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -89.47 -26.06 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.7 tp -72.03 -49.86 33.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 62.01 110.935 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.516 HG12 HG11 ' A' ' 40' ' ' VAL . 17.3 mt -65.85 -47.79 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 23.23 111.123 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -56.61 -25.48 53.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.898 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.43 -22.77 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.914 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.7 tpp -71.07 -55.1 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 70.3 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -65.16 -15.0 61.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.9 tp -98.09 -25.54 14.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.923 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.6 -52.04 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 75.2 111.106 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.65 -18.93 65.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 94' ' ' ALA . 1.3 tm0? -52.72 155.27 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.915 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -73.99 75.86 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.869 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' HB2' ' NE2' ' A' ' 92' ' ' GLN . . . -109.02 129.11 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 30.44 111.116 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.4 t -105.42 75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.119 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.5 t -156.82 156.56 33.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 71.21 111.192 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.38 -31.27 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.05 110.832 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.39 -25.49 49.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 62.44 110.922 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.6 t -53.93 -28.18 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 40.21 110.852 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -81.83 -40.83 21.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 65.03 110.851 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -68.95 -27.73 66.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.906 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.08 -4.46 44.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 65.35 111.101 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.83 -33.09 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 63.41 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -86.48 -24.23 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.878 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -73.2 -46.49 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 83' ' ' LEU . 4.0 ptp -51.91 -39.42 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.897 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.45 -35.22 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 62.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -21.18 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.105 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.01 -30.17 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 74.33 111.102 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.708 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -58.85 -56.71 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 52.33 110.854 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 115' ' ' VAL . 9.6 t60 -52.01 -30.61 26.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.863 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.613 HG22 ' OD2' ' A' ' 116' ' ' ASP . 1.6 m -53.51 -41.0 65.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.789 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -59.8 -25.78 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.945 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -92.3 -45.12 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.42 111.091 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 111' ' ' HIS . 22.9 t -57.16 -34.12 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 61.23 111.123 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.613 ' OD2' HG22 ' A' ' 112' ' ' THR . 43.4 m-20 -85.94 -4.73 59.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.929 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.737 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -96.62 -34.89 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.106 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.739 ' HA ' HD23 ' A' ' 121' ' ' LEU . 2.1 mptp? -58.15 -34.48 70.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 2.9 m-20 -82.42 -18.27 42.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 73.52 110.871 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.691 ' HB2' HG21 ' A' ' 72' ' ' THR . 2.8 tm? -83.28 -34.69 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.929 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.739 HD23 ' HA ' ' A' ' 118' ' ' LYS . 1.2 pp -65.36 -30.06 70.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 75.24 110.917 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -95.6 -26.05 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.886 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 68' ' ' GLU . . . -59.31 -52.87 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.098 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.692 HG21 HG11 ' A' ' 10' ' ' VAL . 19.0 t -65.16 -32.78 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.106 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 129' ' ' VAL . 3.4 m-20 -56.2 -25.64 47.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 65.25 110.851 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.703 ' O ' HD23 ' A' ' 130' ' ' LEU . 9.7 mt-30 -92.42 -21.55 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.886 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.43 -37.6 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.32 111.086 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.8 -45.23 71.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 125' ' ' ASP . 88.4 t -63.74 -32.08 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.21 111.093 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 126' ' ' GLN . 2.7 mm? -70.69 -27.03 63.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.67 -31.6 66.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 53.23 111.089 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -84.15 -51.19 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.871 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.6 mt -54.88 -27.13 40.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.98 155.84 20.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 71.25 111.065 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 77.7 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.885 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.806 0.336 . . . . 71.45 111.069 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -118.56 88.16 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 72.04 110.895 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -131.57 50.6 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.9 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -99.81 44.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.895 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -111.93 88.88 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 74.14 110.879 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -98.46 68.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.52 111.19 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.36 40.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.75 77.12 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 54.34 110.82 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.34 -29.65 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.936 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 54' ' ' VAL . 93.4 t -56.43 -25.85 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.112 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.15 -21.82 18.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.908 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 11' ' ' TYR . 1.9 mm? -71.93 -20.09 61.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.932 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -98.84 -46.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.876 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.728 HG22 ' HB1' ' A' ' 117' ' ' ALA . 5.7 p -53.11 -27.72 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.45 111.107 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -45.16 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.09 -22.93 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.873 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 21' ' ' VAL . 16.1 tp -79.35 -56.31 4.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.729 HG13 ' HB1' ' A' ' 114' ' ' ALA . 21.2 t -65.49 -21.57 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.103 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -88.59 -21.28 24.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.43 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 65.2 111.114 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.721 HG11 ' HB2' ' A' ' 114' ' ' ALA . 10.5 p -93.21 -14.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 71.21 111.119 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.4 tp -85.29 -25.96 26.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 72.44 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.42 -27.35 60.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.7 pp -86.58 -1.71 57.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 43.32 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 107' ' ' LEU . 9.0 mtpm? -90.8 -11.85 38.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.86 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -111.88 -24.17 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.87 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.45 12.96 18.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 61.24 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -67.22 -38.3 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 61.12 110.927 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -105.53 39.57 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.98 11.25 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.797 HD11 ' CE1' ' A' ' 36' ' ' TYR . 2.2 pp -179.66 156.33 0.79 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.706 . . . . 72.54 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.4 21.75 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.258 . . . . 74.21 112.32 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -8.0 22.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 64.32 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.68 -22.68 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 52.13 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.39 3.04 57.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 54.21 112.496 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.797 ' CE1' HD11 ' A' ' 31' ' ' LEU . 1.5 m-85 -108.6 -26.35 10.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.937 0.399 . . . . 73.5 110.921 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.24 -26.74 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 73.5 111.167 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 t -93.15 -20.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 70.25 111.128 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 43' ' ' VAL . 63.5 t -75.07 -37.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG11 HG12 ' A' ' 84' ' ' ILE . 21.9 t -56.82 -23.85 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 65.3 111.117 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.21 -54.06 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 44.34 110.851 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.82 -23.31 61.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 64.52 110.903 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 39' ' ' VAL . 87.0 t -81.17 -24.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.078 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.32 -13.49 24.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.34 112.52 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.8 HD23 ' HD3' ' A' ' 48' ' ' ARG . 7.6 mt -83.37 -10.84 58.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 71.33 110.873 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -52.39 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.51 111.163 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 pp -56.83 -49.17 76.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.943 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.8 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.5 ptm180 -64.98 -14.41 60.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.88 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -91.17 -28.28 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.851 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD11 HE22 ' A' ' 73' ' ' GLN . 1.2 pp -91.94 -31.78 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.91 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.592 HD11 HD23 ' A' ' 76' ' ' LEU . 18.7 mt -57.02 -26.55 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.129 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.54 -1.82 78.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 70.33 112.528 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.4 -33.73 8.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 71.13 110.838 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.679 HG12 HG21 ' A' ' 69' ' ' ILE . 10.5 t -88.43 -29.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 73.33 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.71 -38.1 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -27.05 63.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.866 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.7 mt -98.13 16.58 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 55.21 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.2 mt -51.61 -58.98 8.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 64.33 110.953 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -7.63 21.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 74.32 112.373 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.1 t -84.0 -6.48 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.02 110.857 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' CB ' ' HB1' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -126.84 159.99 61.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 73.33 110.881 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.9 Cg_endo -69.74 159.36 53.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.262 . . . . 65.25 112.342 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -57.78 -23.32 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.834 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.7 t -50.8 -38.49 48.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.841 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.651 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 49.7 m -112.24 -27.67 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 71.43 110.87 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' HA ' HD12 ' A' ' 69' ' ' ILE . 15.6 ttt180 -51.06 -57.6 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.849 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -57.68 -21.7 41.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 111.125 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -84.03 -35.88 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.14 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.679 HG21 HG12 ' A' ' 54' ' ' VAL . 6.8 mt -70.93 -48.95 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.143 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -56.47 -29.62 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.849 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.11 -37.77 6.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 55.41 112.533 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.719 HG21 HD23 ' A' ' 120' ' ' LEU . 65.2 m -70.16 -52.32 24.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.731 0.301 . . . . 73.53 111.176 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.474 HE22 HD11 ' A' ' 50' ' ' LEU . 3.7 mm100 -63.23 -22.51 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.68 60.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 52.12 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.56 -15.49 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.592 HD23 HD11 ' A' ' 51' ' ' ILE . 1.9 tp -59.0 -25.45 63.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.53 4.85 53.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -111.19 -21.59 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.942 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.0 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.872 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.795 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.89 -20.36 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -58.03 -29.91 65.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.22 111.106 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -90.91 -31.82 16.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.871 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.5 tp -65.75 -51.42 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.925 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.484 HG12 HG11 ' A' ' 40' ' ' VAL . 33.5 mt -60.13 -40.77 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 43.42 111.149 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.16 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.925 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -75.83 -19.78 58.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.913 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 26.5 tpp -75.39 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.886 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -21.78 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp -94.64 -28.5 15.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 63.52 110.95 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -53.48 -42.84 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 52.22 111.086 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -108.5 28.78 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.934 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.58 167.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.922 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.96 -35.16 66.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.56 109.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 55.14 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.3 56.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 71.25 111.102 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.718 HG23 ' H ' ' A' ' 98' ' ' LEU . 14.7 t -93.43 172.83 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.107 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 82.8 p -96.75 29.0 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.876 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.718 ' H ' HG23 ' A' ' 96' ' ' THR . 1.9 tt -115.7 -23.76 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 55.33 110.946 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.1 -40.2 60.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -52.21 -40.86 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 62.13 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.53 -34.57 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 64.22 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.85 -24.98 64.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 72.54 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.414 ' HG3' HD11 ' A' ' 28' ' ' LEU . 10.9 tptt -57.2 -61.87 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.859 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -65.17 -28.68 69.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.41 -28.14 63.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.5 ttp -67.23 -55.11 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 70.4 110.904 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.9 tt -57.11 -24.58 55.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.889 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -68.0 -22.6 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 60.44 111.103 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -90.83 -36.65 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 61.14 111.077 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.682 ' CB ' HD11 ' A' ' 24' ' ' LEU . 98.1 p -56.48 -53.87 52.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 73.11 110.846 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -56.1 -25.05 44.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.877 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.1 m -62.54 -17.81 60.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 62.51 111.137 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.5 mp -83.27 -25.86 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 64.44 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.729 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.29 -36.41 10.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 70.23 111.105 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.56 -29.24 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.45 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -85.87 -32.91 21.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 60.24 110.889 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -58.15 -28.15 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.086 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.86 -48.14 26.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.77 -24.44 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 64.01 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.719 HD23 HG21 ' A' ' 72' ' ' THR . 2.8 tm? -84.24 -44.19 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 121' ' ' LEU . 13.3 tp -54.02 -26.97 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.939 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -88.18 -26.5 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.51 110.877 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.64 -50.04 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.02 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 120' ' ' LEU . 15.5 m -69.34 -31.61 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 63.14 111.109 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 129' ' ' VAL . 20.4 t70 -56.5 -43.88 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.871 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -75.08 -27.7 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.31 110.924 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 65' ' ' SER . . . -74.17 -38.81 63.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 71.43 111.066 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -64.38 -24.87 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 125' ' ' ASP . 83.3 t -82.6 -39.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.54 111.128 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.8 mt -78.62 -24.96 45.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 60.04 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.05 -54.39 47.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.08 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -62.99 -57.11 11.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 64.21 110.868 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.5 mt -53.05 -29.22 28.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.908 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 62.35 73.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 72.44 111.092 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.887 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.817 0.341 . . . . 32.34 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.55 58.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 64.42 110.85 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.52 64.35 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.71 110.64 22.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.855 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -101.57 102.88 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.883 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 8' ' ' ASP . 14.6 t -175.47 173.84 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 62.55 111.173 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.86 34.69 1.84 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.31 110.863 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.657 ' H ' HG23 ' A' ' 6' ' ' THR . 2.3 p30 -53.73 101.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.897 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.0 pp -134.26 6.83 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.926 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.963 HG21 HG21 ' A' ' 124' ' ' VAL . 5.9 m -93.32 -16.79 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 50.3 111.127 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.501 ' HB2' HD12 ' A' ' 121' ' ' LEU . 8.3 p90 -95.01 -15.7 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 73.03 110.957 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -79.48 -25.02 41.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 75.55 110.951 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -91.66 -43.61 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.904 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.814 HG22 ' HB1' ' A' ' 117' ' ' ALA . 8.4 p -54.66 -28.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.42 111.139 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.3 tpp -72.26 -42.97 65.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.872 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 62.04 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.716 HD11 HD23 ' A' ' 47' ' ' LEU . 4.4 tt -64.78 -54.38 32.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 114' ' ' ALA . 47.1 t -49.53 -51.31 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 52.03 111.131 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -66.32 -24.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.55 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.22 -29.15 42.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 45.53 111.084 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 110' ' ' SER . 7.2 p -93.24 -18.2 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 50.04 111.123 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -20.01 58.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 60.12 110.887 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.23 -25.68 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.4 110.929 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.1 pp -93.06 -1.04 56.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.881 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 107' ' ' LEU . 8.4 mtpm? -91.18 -49.52 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 65.05 110.842 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -75.84 -25.46 56.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 65.41 110.882 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -86.97 0.35 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 62.04 110.927 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.25 -37.75 48.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 63.12 110.947 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -98.89 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.869 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -138.72 -74.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.52 159.19 64.7 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.644 0.735 . . . . 61.3 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.53 21.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 72.23 112.339 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.59 23.98 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 71.21 112.373 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -89.83 -11.59 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 62.32 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.28 -10.57 54.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 33.11 112.502 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.97 -33.62 22.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 73.13 110.892 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 p -50.7 -39.37 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 71.04 111.12 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.61 -33.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 73.04 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 43' ' ' VAL . 37.1 t -70.07 -35.13 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 64.41 111.125 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.576 HG11 HG12 ' A' ' 84' ' ' ILE . 66.3 t -54.08 -25.06 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 63.41 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -57.94 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 70.14 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -71.51 -10.43 59.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 62.02 110.892 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 HD22 ' A' ' 113' ' ' LEU . 89.2 t -96.02 -23.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.21 111.126 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.83 -21.27 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 61.12 112.455 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.817 HD23 ' HD2' ' A' ' 48' ' ' ARG . 19.3 mt -82.01 -1.45 48.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 73.14 110.896 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.498 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -85.69 -49.21 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 61.32 111.135 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.745 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 pp -62.5 -50.53 71.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.903 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.817 ' HD2' HD23 ' A' ' 45' ' ' LEU . 7.1 ptp85 -64.81 -14.62 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.846 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -91.28 -26.65 18.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.897 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -93.59 -29.24 15.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.889 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 48' ' ' ARG . 19.2 mt -56.22 -28.8 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.116 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.27 -8.13 83.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 61.42 112.512 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.504 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -99.38 -27.18 13.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 72.31 110.849 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.585 HG12 HG21 ' A' ' 69' ' ' ILE . 3.1 t -92.62 -24.46 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.4 111.16 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -73.95 -35.77 64.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.878 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -76.18 -7.29 54.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.856 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.5 6.67 17.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.945 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.539 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -54.13 -57.79 16.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 34.42 110.936 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.76 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 54.41 112.362 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -92.53 -2.46 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 63.3 110.836 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.618 HD13 ' OG ' ' A' ' 65' ' ' SER . 0.4 OUTLIER -127.27 160.23 61.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 73.44 110.885 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 172.0 13.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 71.34 112.297 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.34 -31.07 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.856 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.2 t -51.55 -30.6 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 73.52 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.618 ' OG ' HD13 ' A' ' 61' ' ' LEU . 10.4 p -111.62 -29.93 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.898 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.5 ttp85 -51.34 -53.25 38.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.904 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -59.29 -28.6 66.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 53.42 111.158 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -73.75 -60.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 53.23 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.585 HG21 HG12 ' A' ' 54' ' ' VAL . 3.4 mt -50.9 -54.36 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.02 111.128 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -21.56 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.886 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.49 -15.66 46.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.51 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 ' HG ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -96.54 -44.12 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 73.15 111.157 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.673 ' OE1' HD11 ' A' ' 120' ' ' LEU . 4.6 mm100 -64.76 -15.05 61.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 53.5 110.954 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -41.33 12.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 75.12 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 76' ' ' LEU . 4.4 pp -79.26 -19.54 50.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.939 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 75' ' ' LEU . 2.5 tp -58.75 -28.55 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.05 110.883 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -90.05 4.38 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.882 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -108.7 -19.6 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.26 -17.64 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 60.0 110.829 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.779 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.21 -18.9 13.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 43.42 110.964 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.508 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.89 -35.85 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 65.51 111.105 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -86.38 -32.28 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.747 HD22 ' HA ' ' A' ' 110' ' ' SER . 10.4 tp -64.21 -52.44 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.576 HG12 HG11 ' A' ' 40' ' ' VAL . 18.1 mt -62.21 -51.5 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 31.31 111.162 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.42 -27.29 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.926 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -88.45 -21.6 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.876 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 28.1 mmm -68.96 -66.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 70.44 110.917 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -23.49 30.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.9 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.6 tp -87.91 -24.4 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 63.41 110.893 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.21 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 55.32 111.111 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -18.75 65.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 50.32 110.875 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.69 143.02 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.946 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -75.39 72.89 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.871 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.0 139.36 30.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 64.14 111.097 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.75 45.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 62.25 111.108 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 98' ' ' LEU . 11.0 t -126.3 25.19 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.51 111.161 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 58.09 43.86 20.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 75.31 110.849 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 96' ' ' THR . 23.3 mt -125.59 25.78 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 61.31 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.8 t -88.95 -31.34 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -84.77 -33.82 22.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 70.23 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.75 -42.04 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 64.11 110.886 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.28 -26.09 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 70.44 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' HG3' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.36 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.34 110.916 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -57.74 -39.1 76.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.891 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -67.39 -25.26 65.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.916 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.7 ttm -68.29 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.879 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.1 tt -59.94 -27.36 66.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 52.42 110.92 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 94.4 m -67.17 -24.64 65.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 70.04 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.21 -40.55 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 63.05 111.072 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.747 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.2 m -57.9 -53.46 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.864 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.55 -27.04 35.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.489 ' HA ' HG12 ' A' ' 115' ' ' VAL . 3.1 m -58.25 -29.44 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.25 111.104 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.805 HD22 HG12 ' A' ' 43' ' ' VAL . 6.1 mp -71.74 -23.9 61.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.938 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -94.41 -44.39 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 63.21 111.096 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 112' ' ' THR . 4.2 p -57.84 -26.67 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.123 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.488 ' CG ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -91.07 -9.19 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.876 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.814 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -90.26 -18.63 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 74.25 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -76.22 -59.43 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.934 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -51.72 -29.69 19.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.673 HD11 ' OE1' ' A' ' 73' ' ' GLN . 1.2 tt -71.22 -41.61 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.92 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 11' ' ' TYR . 2.4 tp -52.82 -30.86 35.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.933 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -86.23 -27.43 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.86 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.38 -57.28 5.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.51 111.074 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.963 HG21 HG21 ' A' ' 10' ' ' VAL . 8.9 p -67.13 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 64.44 111.111 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -51.68 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 72.52 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.18 -39.33 78.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.3 -35.51 65.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.21 111.102 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -24.34 65.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 54.32 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.97 -27.79 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.125 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.86 -25.27 28.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.939 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.79 -36.98 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 61.05 111.085 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -54.6 -28.52 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.06 -28.82 69.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 62.41 110.922 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.92 92.63 8.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.2 111.11 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 24.7 t60 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 72.33 110.867 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.787 0.327 . . . . 75.24 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -113.58 36.67 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 61.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 3' ' ' LEU . 1.0 OUTLIER -96.49 83.62 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.942 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t0 54.52 44.47 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.902 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -87.44 86.94 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 64.23 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -149.75 156.44 41.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 52.23 111.143 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.95 30.41 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 50.24 110.857 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -98.88 81.34 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 72.5 110.873 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.33 25.05 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.878 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.568 HG21 HG21 ' A' ' 124' ' ' VAL . 44.5 t -92.22 -19.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 53.44 111.139 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.1 -33.93 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.52 110.911 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 mt -53.2 -29.13 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.907 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -96.72 -55.43 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 52.03 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.968 HG13 ' HB1' ' A' ' 117' ' ' ALA . 24.6 t -50.82 -30.84 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 70.24 111.155 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.6 ttp -60.69 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 54.24 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.68 -30.98 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.8 tp -67.56 -45.58 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.955 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.748 HG13 ' HB1' ' A' ' 114' ' ' ALA . 60.5 t -64.94 -21.1 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 62.25 111.142 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.78 -52.65 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.908 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.36 64.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.51 111.112 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.538 HG23 HG11 ' A' ' 43' ' ' VAL . 8.9 p -83.15 -10.89 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.161 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.36 -26.51 21.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.54 110.908 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -71.2 -43.05 68.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 54.41 110.929 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.763 HD23 HG21 ' A' ' 43' ' ' VAL . 4.6 pp -61.83 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.906 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' N ' HD12 ' A' ' 24' ' ' LEU . 28.4 mtpp -60.33 -20.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.902 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -101.18 -16.51 17.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.837 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -89.64 9.97 24.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -69.38 -38.28 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 64.42 110.898 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.7 t -116.06 28.16 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.837 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.34 -40.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.51 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -115.41 159.21 39.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 72.51 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.68 23.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 71.51 112.386 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.67 20.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.276 . . . . 73.43 112.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.745 ' O ' HG12 ' A' ' 37' ' ' VAL . 19.9 tt0 -52.73 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 52.23 110.876 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.64 -30.67 14.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 32.22 112.483 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.747 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -55.3 -45.89 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 71.24 110.965 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 34' ' ' GLU . 3.9 p -59.66 -18.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 74.43 111.083 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.62 -22.47 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 61.55 111.186 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 43' ' ' VAL . 46.6 t -89.08 -40.92 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 61.21 111.154 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 36' ' ' TYR . 22.0 t -56.37 -24.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 61.42 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.03 -55.85 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 64.34 110.889 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -67.62 -21.81 65.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 64.54 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.763 HG21 HD23 ' A' ' 24' ' ' LEU . 91.6 t -79.94 -26.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 64.5 111.124 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -9.24 32.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 71.41 112.475 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' HD2' ' A' ' 48' ' ' ARG . 1.1 mt -86.11 -8.84 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 73.42 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.53 -47.1 14.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 65.25 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 pp -61.13 -48.11 83.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.955 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.771 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -67.58 -12.39 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.846 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -94.51 -26.93 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.11 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 50' ' ' LEU . 1.9 pp -95.54 -23.62 17.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 48' ' ' ARG . 9.2 mt -53.95 -31.86 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.139 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.44 -20.79 70.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 62.51 112.505 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.0 p -73.38 -45.77 52.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 74.42 110.872 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 HD13 ' A' ' 69' ' ' ILE . 2.9 t -82.33 -16.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 72.22 111.12 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.08 -26.04 29.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 30.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.7 -29.18 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 61.4 110.881 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.39 18.94 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 65.12 110.904 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -50.42 -58.22 10.55 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.596 0.712 . . . . 61.04 110.905 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.82 -6.64 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 73.54 112.348 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -92.03 13.98 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.122 HD22 ' HB1' ' A' ' 127' ' ' ALA . 11.1 mt -103.79 154.62 37.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 71.33 110.927 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.74 179.21 3.84 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 44.33 112.332 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.83 64.24 7.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.829 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -168.51 -49.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.14 110.858 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -26.64 22.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 73.44 110.856 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -56.89 -45.21 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.23 110.849 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -19.29 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 55.43 111.135 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -78.2 -60.23 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 71.11 110.909 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.681 HD12 ' CD1' ' A' ' 61' ' ' LEU . 76.7 mt -63.65 -51.52 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.09 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.01 -24.06 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.914 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 -10.15 47.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 72.45 112.54 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 120' ' ' LEU . 99.6 m -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 62.52 111.111 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.466 ' HB3' HG23 ' A' ' 51' ' ' ILE . 5.2 mm100 -55.12 -27.19 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.943 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -42.25 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.848 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.745 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -77.15 -17.06 58.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 62.12 110.934 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 HD11 ' A' ' 51' ' ' ILE . 1.7 tp -59.58 -25.63 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 63.14 110.935 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -90.24 4.79 49.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 70.24 110.908 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -107.64 -22.78 12.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 60.52 110.913 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -67.47 -18.3 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.854 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.769 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -110.19 -17.64 13.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.901 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.09 -27.77 65.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 65.53 111.082 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -92.99 -31.27 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 74.41 110.896 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 110' ' ' SER . 5.7 tp -67.1 -50.55 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.926 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.8 mt -64.05 -55.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.107 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -52.03 -47.39 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.922 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -65.97 -24.17 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.919 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -68.88 -65.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.874 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -54.45 -27.1 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -78.37 -30.08 47.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.8 -55.49 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.079 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -57.35 -23.92 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 71.02 110.888 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.92 141.16 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.912 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -69.92 84.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.914 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.69 95.54 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 42.5 111.106 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.32 -24.96 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 62.32 111.136 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -52.58 144.66 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 64.05 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.67 -23.65 52.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.887 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 98' ' ' LEU . 1.8 tt -53.29 -28.29 27.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.932 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -50.63 60.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.886 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -55.24 -41.77 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 74.24 110.884 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.46 -37.44 77.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 61.3 110.88 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.39 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 62.22 111.072 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -30.09 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 61.53 110.916 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -96.32 -25.7 15.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.12 110.832 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -67.17 -26.24 66.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.516 ' HG3' HD21 ' A' ' 28' ' ' LEU . 6.4 ptm -72.35 -35.33 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.838 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.5 tt -77.64 -21.13 52.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.967 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.8 m -77.09 -20.36 55.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 52.32 111.117 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.0 -26.15 21.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 51.32 111.108 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.765 ' HA ' HD22 ' A' ' 83' ' ' LEU . 94.5 p -61.04 -54.76 40.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 75.24 110.863 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -55.38 -26.2 39.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.849 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.488 ' HA ' HG12 ' A' ' 115' ' ' VAL . 1.5 m -59.8 -20.89 59.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 63.2 111.153 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.5 mp -80.98 -24.06 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 63.15 110.93 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.748 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.22 -48.55 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.158 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 112' ' ' THR . 8.8 p -51.37 -29.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 61.4 111.082 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.745 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.25 -44.32 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.891 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.968 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -58.49 -26.46 63.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.114 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.28 -42.73 62.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 64.04 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.52 -27.66 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.668 ' HB2' HG21 ' A' ' 72' ' ' THR . 3.4 tm? -75.67 -29.83 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.961 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.28 -24.71 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.966 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.73 -42.48 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 71.3 110.858 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.98 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 120' ' ' LEU . 7.2 p -89.5 -25.11 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.493 ' O ' HG23 ' A' ' 129' ' ' VAL . 35.3 t70 -54.77 -31.36 58.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 60.33 110.835 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -95.74 -38.53 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 1.122 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 33.41 111.068 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -27.53 69.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.876 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 125' ' ' ASP . 97.2 t -75.31 -41.33 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.117 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 133' ' ' LEU . 36.6 mt -75.66 -29.5 59.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 54.31 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.21 -27.55 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 72.0 111.085 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -117.22 37.3 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.877 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 130' ' ' LEU . 1.4 pp -93.2 -30.07 15.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 70.33 110.932 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.09 173.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 72.43 111.084 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.7 p80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.892 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.319 . . . . 74.33 111.105 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -128.41 141.58 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 60.13 110.901 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.46 32.46 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.915 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -112.37 146.5 38.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 63.51 110.839 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -100.92 104.52 15.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.861 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 8' ' ' ASP . 87.1 m -109.36 141.16 42.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -96.64 31.74 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 64.43 110.845 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.634 ' H ' HG22 ' A' ' 6' ' ' THR . 4.2 p30 -56.89 138.91 53.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.5 pt? -131.34 4.45 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 51.1 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.67 HG21 HG11 ' A' ' 124' ' ' VAL . 16.2 m -93.34 -6.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 63.21 111.143 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -95.07 -8.34 36.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.916 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.52 -49.56 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.902 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -68.02 -22.86 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.612 ' HA ' HD22 ' A' ' 50' ' ' LEU . 9.2 p -80.26 -29.07 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.34 111.144 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.4 ttp -69.7 -30.78 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 75.42 110.845 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.7 -38.77 92.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 43.44 110.862 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.689 HD12 ' HB ' ' A' ' 46' ' ' THR . 5.2 tt -69.32 -52.28 28.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 64.33 110.901 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 14' ' ' VAL . 35.9 t -52.34 -28.75 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.17 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -36.49 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 70.02 110.842 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.71 -22.5 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 62.55 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' A' ' 43' ' ' VAL . 10.6 p -93.44 -18.84 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 62.25 111.084 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD23 ' HD3' ' A' ' 25' ' ' LYS . 5.7 mt -82.88 -30.03 28.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.904 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.72 -31.76 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pp -81.64 -11.9 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.904 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HD3' HD23 ' A' ' 22' ' ' LEU . 23.7 mtpp -76.85 -62.75 1.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 51.52 110.919 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.66 -18.82 61.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 45.15 110.854 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.41 -18.84 59.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -50.11 -38.76 40.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 54.21 110.902 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -99.37 42.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -153.22 -74.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 72.12 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.43 159.26 61.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 44.23 110.913 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.39 21.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 72.31 112.343 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 75.44 112.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -95.03 24.08 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 71.43 110.837 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -120.92 -16.84 4.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 65.15 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.757 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.0 m-85 -95.1 -21.05 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 74.54 110.915 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.414 HG13 HG23 ' A' ' 38' ' ' VAL . 8.3 p -51.51 -34.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.41 111.152 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 37' ' ' VAL . 21.2 t -85.23 -23.93 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 65.14 111.158 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.711 HG12 ' CG2' ' A' ' 43' ' ' VAL . 20.8 t -78.14 -35.67 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.111 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 36' ' ' TYR . 26.4 t -53.35 -27.56 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 64.25 111.143 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.41 -57.54 9.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 61.31 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.45 -37.66 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.903 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.711 ' CG2' HG12 ' A' ' 39' ' ' VAL . 86.4 t -62.82 -26.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 65.12 111.125 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.27 -9.96 30.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 61.31 112.491 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.695 HD23 ' HD2' ' A' ' 48' ' ' ARG . 6.6 mt -89.05 -16.21 32.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 61.44 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.689 ' HB ' HD12 ' A' ' 17' ' ' LEU . 9.4 m -76.49 -43.89 37.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.153 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 48' ' ' ARG . 2.2 pp -62.44 -48.13 81.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 52.13 110.88 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.736 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.5 ptp180 -67.49 -12.48 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.4 110.84 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.63 -30.52 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.4 110.859 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.612 HD22 ' HA ' ' A' ' 14' ' ' VAL . 4.0 pp -91.35 -21.12 21.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.905 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.1 mt -55.22 -31.93 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 42.35 111.141 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.13 -14.58 71.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.507 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.69 -38.42 39.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 75.1 110.821 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.566 HG12 HG21 ' A' ' 69' ' ' ILE . 9.2 t -83.92 -25.78 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.67 -24.97 65.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.914 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.8 -17.06 61.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.891 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.563 HD11 HG13 ' A' ' 54' ' ' VAL . 3.3 pp -116.89 -13.14 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.895 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 tp -48.99 -57.96 9.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 62.11 110.899 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.77 -8.26 23.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.716 2.277 . . . . 70.12 112.356 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.3 t -101.68 18.55 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 63.51 110.826 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' A' ' 127' ' ' ALA . 2.5 mp -105.38 160.6 25.49 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.601 0.715 . . . . 73.32 110.91 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 75.31 112.307 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.4 p -77.07 67.48 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.88 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 t -168.69 -53.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.893 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -96.01 22.53 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 62.44 110.851 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -89.15 -43.74 10.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.855 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 m -64.57 -23.26 67.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.52 111.131 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.02 -59.33 4.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.639 HD12 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -65.77 -46.78 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 64.42 111.173 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -52.58 -35.56 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.865 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.59 -37.84 7.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.471 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.664 ' CB ' HD23 ' A' ' 120' ' ' LEU . 97.5 m -61.59 -52.51 64.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 70.43 111.135 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.37 -21.52 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -48.5 11.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.52 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.683 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -72.74 -13.83 61.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.894 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 51' ' ' ILE . 1.5 tp -62.62 -16.35 56.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.929 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -101.14 5.95 42.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -106.32 -33.47 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.951 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.86 -27.37 29.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.02 110.877 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.823 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -101.44 -14.69 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 55.32 110.962 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.559 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.06 -32.79 74.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 64.04 111.078 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -90.96 -30.76 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.6 tp -65.82 -49.86 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 71.34 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.55 HG12 HG11 ' A' ' 40' ' ' VAL . 25.6 mt -60.61 -49.72 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.11 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -60.09 -35.74 75.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 62.13 110.912 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -72.09 -25.44 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.21 110.886 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.2 tpp -72.66 -56.39 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 54.41 110.83 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -60.46 -19.12 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.42 110.872 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -97.78 -22.27 16.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.928 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.52 -58.33 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.09 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -82.6 1.25 39.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.925 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -51.61 161.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.22 110.922 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.25 84.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 62.54 110.908 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -117.15 -40.82 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.089 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t 52.27 70.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.178 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.3 m -160.94 149.42 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 73.41 111.149 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -58.79 -27.04 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 62.15 110.875 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.1 tp -55.83 -26.79 48.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 64.31 110.897 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.1 t -53.82 -28.02 32.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 61.3 110.865 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.87 -33.29 49.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.88 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.26 -48.29 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 62.42 110.888 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.01 46.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 55.22 111.125 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -69.72 -60.56 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 70.11 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -56.96 -41.61 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 61.2 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -58.62 -31.71 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ttp -63.0 -50.46 70.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.848 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.411 HD12 ' HG2' ' A' ' 25' ' ' LYS . 12.2 tp -57.98 -27.02 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.51 110.94 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 m -76.51 -11.82 59.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 74.13 111.12 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.32 -43.19 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.32 111.031 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.716 ' HA ' HD22 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -56.78 -52.98 62.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 62.34 110.858 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.762 ' O ' HG13 ' A' ' 115' ' ' VAL . 5.0 t-160 -56.2 -25.83 48.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.4 110.837 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.7 m -60.9 -17.3 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 65.33 111.131 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.1 mp -83.92 -24.28 30.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.909 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.503 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.34 -37.33 10.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 34.53 111.106 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.762 HG13 ' O ' ' A' ' 111' ' ' HIS . 17.9 m -50.7 -29.9 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 70.1 111.102 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.683 ' CG ' HD11 ' A' ' 75' ' ' LEU . 5.0 t0 -80.07 -44.74 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.879 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.584 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -51.36 -34.81 35.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 72.14 111.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -68.16 -36.66 80.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 64.2 110.866 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -78.87 -23.65 44.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.894 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.664 HD23 ' CB ' ' A' ' 72' ' ' THR . 2.5 tm? -83.36 -39.27 20.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 53.24 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 122' ' ' ASP . 2.0 tm? -55.56 -62.46 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.891 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.5 ' N ' HD13 ' A' ' 121' ' ' LEU . 26.7 t0 -55.98 -25.29 43.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.847 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 120' ' ' LEU . . . -70.05 -39.72 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.24 111.051 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 10' ' ' VAL . 93.0 t -81.55 -25.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 65.2 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -59.55 -53.61 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 24.14 110.863 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -76.55 -33.07 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.938 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -64.6 -43.77 92.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 65.43 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -24.44 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 65.01 110.898 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.37 -40.8 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 62.41 111.075 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 62.32 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.05 -39.99 69.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 53.2 111.108 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -61.08 -35.74 77.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 65.53 110.86 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.9 -28.27 69.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 70.54 110.874 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.68 168.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 61.33 111.131 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 13.7 t60 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.865 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.785 0.326 . . . . 54.23 111.113 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -91.45 141.36 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.872 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.61 28.9 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 73.1 110.936 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -118.7 80.78 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 54.14 110.843 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -105.79 26.79 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 64.45 110.89 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -110.8 176.5 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.148 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -105.52 21.29 17.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 64.53 110.863 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.25 130.54 30.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.866 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -144.12 14.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.868 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG21 HG11 ' A' ' 124' ' ' VAL . 60.8 t -93.4 -19.73 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.134 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -94.2 -5.45 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.951 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -96.15 -49.02 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 71.01 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -72.13 -22.56 61.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.868 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.795 HG22 ' HB1' ' A' ' 117' ' ' ALA . 6.6 p -78.38 -26.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 41.31 111.119 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.2 ttp -65.17 -47.82 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 64.54 110.838 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.18 -33.69 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD11 HD23 ' A' ' 47' ' ' LEU . 21.8 tp -68.02 -49.87 58.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.889 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.742 HG13 ' HB1' ' A' ' 114' ' ' ALA . 89.9 t -67.8 -23.68 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.087 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -82.65 -52.6 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.5 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.61 -35.45 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.094 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 110' ' ' SER . 10.4 p -79.41 -34.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.117 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -25.69 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 64.41 110.922 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.64 -54.02 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 54.23 110.874 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 110' ' ' SER . 0.8 OUTLIER -60.19 -21.14 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.924 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -58.13 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.912 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.18 -16.95 60.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 75.05 110.885 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.703 ' HB3' HD12 ' A' ' 31' ' ' LEU . 84.1 mt-10 -88.23 7.94 29.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 75.12 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -64.57 -33.79 76.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 62.23 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -121.77 26.08 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 35.21 110.856 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -134.73 6.5 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 60.51 110.868 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 27' ' ' GLU . 96.6 mt -154.78 155.11 30.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.619 0.723 . . . . 45.1 110.921 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.76 20.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 51.11 112.344 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 53.9 Cg_endo -69.73 -12.21 32.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.686 2.257 . . . . 72.34 112.388 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 37' ' ' VAL . 41.6 tp10 -85.26 -17.21 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.875 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -86.47 -11.13 72.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 64.41 112.489 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.8 m-85 -85.64 -38.06 18.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 73.53 110.917 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 34' ' ' GLU . 11.4 p -61.59 -25.99 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 34.14 111.106 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.1 m -87.49 -23.28 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 70.34 111.116 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 43' ' ' VAL . 92.4 t -86.15 -42.96 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 60.25 111.134 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 36' ' ' TYR . 86.8 t -50.12 -29.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.138 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -51.99 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.903 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -78.42 -3.68 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 39' ' ' VAL . 88.2 t -95.71 -27.55 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 54.32 111.163 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.62 -15.77 16.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 34.41 112.46 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD23 ' HD3' ' A' ' 48' ' ' ARG . 39.6 mt -84.56 -8.38 58.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.891 0.376 . . . . 74.23 110.908 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -82.14 -47.67 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 65.2 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.699 ' CD2' HD23 ' A' ' 113' ' ' LEU . 1.7 pp -62.33 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.89 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HD3' HD23 ' A' ' 45' ' ' LEU . 9.9 ptm180 -67.09 -11.98 58.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.87 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -95.64 -34.22 12.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.959 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD22 ' HA ' ' A' ' 14' ' ' VAL . 4.0 pp -86.58 -26.95 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.24 110.94 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 76' ' ' LEU . 10.7 mt -54.73 -31.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 63.31 111.088 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.78 66.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 63.23 112.472 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 p -81.37 -38.19 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 73.25 110.86 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.682 HG12 HG21 ' A' ' 69' ' ' ILE . 12.3 t -88.11 -46.52 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.167 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' HA ' HD23 ' A' ' 58' ' ' LEU . 8.2 t70 -55.74 -30.56 61.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 63.32 110.849 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.73 -23.68 53.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.829 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.04 12.45 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.908 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.76 -58.81 8.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.6 0.714 . . . . 73.03 110.881 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -7.36 20.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 71.45 112.35 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 m -87.86 -4.89 58.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.862 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.463 HD22 ' HB1' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -131.28 159.89 69.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.663 0.744 . . . . 74.32 110.899 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 53.5 Cg_endo -69.78 162.84 40.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 52.45 112.35 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p -57.43 -24.57 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 54.32 110.889 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -56.81 -25.33 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.54 110.858 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.424 ' HB2' HD13 ' A' ' 61' ' ' LEU . 45.8 m -112.26 -19.67 12.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.873 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.438 HH21 HG23 ' A' ' 67' ' ' THR . 3.2 ttp180 -51.91 -65.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.883 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.438 HG23 HH21 ' A' ' 66' ' ' ARG . 1.9 m -55.7 -24.04 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.41 111.136 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.42 -56.65 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.89 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.682 HG21 HG12 ' A' ' 54' ' ' VAL . 5.3 mt -65.25 -52.69 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.42 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -29.94 23.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.898 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.32 -34.35 8.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 43.04 112.485 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.794 HG21 HD23 ' A' ' 120' ' ' LEU . 90.7 m -70.65 -55.68 8.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 74.11 111.154 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HB3' HG23 ' A' ' 51' ' ' ILE . 5.3 mm100 -59.96 -20.53 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.924 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -46.99 29.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.704 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.8 OUTLIER -74.48 -7.04 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 65.24 110.933 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.4 tp -70.86 -14.22 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 61.04 110.894 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -102.17 3.41 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.895 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.44 -16.69 12.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 52.33 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.516 ' CG ' HG22 ' A' ' 112' ' ' THR . 93.8 m-20 -74.1 -13.03 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.847 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.774 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -110.03 -21.04 12.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.882 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.54 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -51.71 -44.32 63.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 43.1 111.131 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -77.82 -26.03 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 63.21 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.793 HD22 ' HA ' ' A' ' 110' ' ' SER . 11.8 tp -70.91 -61.75 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 71.5 110.878 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.39 -43.49 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 63.34 111.118 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.68 -57.68 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.15 110.938 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -59.69 -20.76 58.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.883 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.452 ' HG2' ' HE1' ' A' ' 106' ' ' MET . 0.0 OUTLIER -68.75 -65.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 62.34 110.861 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -56.97 -25.48 58.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 54.33 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -87.29 -19.63 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.5 83.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.55 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 33' ' ' PRO . 3.3 pt20 -94.47 20.62 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 44.22 110.917 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.64 153.72 31.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 65.41 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.62 77.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.846 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.32 160.43 14.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 63.31 111.098 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.41 -16.71 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.34 111.13 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -92.38 16.23 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 45.2 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t 50.7 47.37 24.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.2 110.858 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.3 tt -76.5 -23.93 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.91 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.1 p -51.94 -30.88 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.44 110.868 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -60.21 -35.21 74.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 51.13 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -86.96 -36.31 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.25 -26.14 67.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.22 111.114 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.514 ' O ' HD11 ' A' ' 28' ' ' LEU . 3.7 mtpp -64.14 -37.55 87.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.877 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -86.86 -19.55 28.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.848 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 108' ' ' THR . 32.6 mm-40 -85.67 -17.59 35.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.858 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.452 ' HE1' ' HG2' ' A' ' 87' ' ' MET . 1.7 ptp -86.75 -22.46 25.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.53 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -82.51 -24.08 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.933 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 105' ' ' GLN . 14.5 t -74.32 -18.66 60.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 61.33 111.168 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.61 -39.75 13.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 71.11 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.793 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.6 m -54.86 -45.38 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.888 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -61.0 -27.14 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 79' ' ' ASP . 2.4 m -59.91 -22.07 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 61.31 111.131 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.6 mp -80.29 -23.18 40.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.894 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.742 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -42.23 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 62.11 111.144 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.1 p -50.87 -30.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.35 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.704 ' CG ' HD11 ' A' ' 75' ' ' LEU . 1.6 t70 -84.5 -33.14 23.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.851 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.795 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -68.86 -13.14 62.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 43.21 111.113 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -92.14 -27.22 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.35 110.862 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.32 -20.44 22.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.89 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.794 HD23 HG21 ' A' ' 72' ' ' THR . 3.4 tm? -80.28 -39.35 29.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.07 -29.9 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.926 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -78.83 -47.44 16.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.857 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.16 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 55.1 111.127 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 10' ' ' VAL . 95.6 t -77.11 -26.9 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.33 111.155 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 129' ' ' VAL . 15.3 t70 -53.22 -36.86 61.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 64.4 110.902 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.66 -38.1 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.934 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -53.86 -51.94 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 35.21 111.097 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.4 -24.63 63.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 61.34 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 125' ' ' ASP . 86.0 t -80.81 -40.2 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 55.42 111.134 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.8 mt -74.01 -21.66 59.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 33.22 110.932 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.16 -33.4 26.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 53.24 111.105 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -62.99 -39.56 95.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.3 mt -70.18 -25.91 63.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.878 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -89.0 160.04 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 64.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 51.7 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 63.35 110.873 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.834 0.35 . . . . 64.35 111.124 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -103.38 77.93 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.56 93.64 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 53.43 110.933 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -57.89 102.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 53.34 110.889 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -151.86 143.23 23.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.863 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 p -51.92 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.3 111.146 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.8 t0 55.25 39.92 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.878 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t0 63.51 59.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 73.02 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.682 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.8 pt? -83.1 -9.5 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 62.54 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 124' ' ' VAL . 86.3 t -54.56 -48.39 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.168 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.447 ' HB2' HD13 ' A' ' 121' ' ' LEU . 6.7 p90 -80.96 -1.1 42.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 63.13 110.929 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 9' ' ' LEU . 14.7 mt -95.01 -26.48 16.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 65.3 110.947 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -95.1 -19.07 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.661 HG22 ' HB1' ' A' ' 117' ' ' ALA . 9.1 p -81.53 -26.74 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.24 111.128 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.7 ttm -60.01 -57.9 10.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -51.35 -41.32 60.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 55.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.24 -58.67 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 63.25 110.959 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.65 HG13 ' HB1' ' A' ' 114' ' ' ALA . 25.3 t -58.85 -21.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.126 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.94 30.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.851 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.61 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 62.2 111.101 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' A' ' 114' ' ' ALA . 7.8 p -93.23 -9.09 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 60.33 111.181 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.625 HD23 ' HD3' ' A' ' 25' ' ' LYS . 6.6 mt -89.16 -28.01 20.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.929 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.91 -27.09 61.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.661 HD11 ' OG ' ' A' ' 110' ' ' SER . 1.6 pp -86.13 -2.77 58.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.5 110.909 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.625 ' HD3' HD23 ' A' ' 22' ' ' LEU . 18.3 mtpt -86.04 -62.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.909 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.85 -24.69 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 61.34 110.904 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -93.83 19.13 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.859 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -74.02 -26.8 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.903 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -110.25 22.12 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.821 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.735 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.8 mp0 -118.62 -16.94 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.905 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 30' ' ' GLN . 0.9 OUTLIER -136.66 157.76 74.44 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 71.23 110.89 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.75 169.28 19.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 75.45 112.327 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.29 30.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 75.24 112.364 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -91.31 14.54 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.938 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -118.05 -16.2 5.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 41.54 112.485 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.63 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.9 m-85 -91.64 -30.32 16.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 75.4 110.956 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.15 -37.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 72.14 111.153 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.91 -24.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.03 111.113 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.712 HG12 HG23 ' A' ' 43' ' ' VAL . 47.4 t -79.69 -29.96 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.14 111.16 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.78 HG11 HG12 ' A' ' 84' ' ' ILE . 41.9 t -51.68 -29.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 74.3 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -52.46 17.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.907 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -67.56 -22.58 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.911 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.712 HG23 HG12 ' A' ' 39' ' ' VAL . 84.9 t -87.23 -25.62 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.12 111.135 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.566 ' HA2' HD22 ' A' ' 47' ' ' LEU . . . -106.44 3.67 37.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 70.43 112.478 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD23 ' HD3' ' A' ' 48' ' ' ARG . 7.8 mt -92.01 -22.06 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.368 . . . . 74.2 110.894 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -86.61 -39.19 16.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 71.52 111.099 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.736 HD13 HD23 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -72.06 -14.05 61.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 74.03 110.886 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.728 ' HA ' HD12 ' A' ' 51' ' ' ILE . 11.3 ptm180 -98.51 -21.02 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 70.13 110.882 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -84.04 -39.24 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 47' ' ' LEU . 1.2 pp -65.59 -26.32 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.922 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 48' ' ' ARG . 74.7 mt -58.18 -29.46 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.124 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.53 -8.56 87.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 74.14 112.472 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 p -91.82 -29.62 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 75.03 110.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.619 HG12 HG21 ' A' ' 69' ' ' ILE . 10.0 t -97.18 -28.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 71.11 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.565 ' HA ' HD23 ' A' ' 58' ' ' LEU . 21.0 t70 -70.89 -11.5 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 51.4 110.891 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -79.24 -25.77 42.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.875 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -0.47 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 41.43 110.902 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -48.71 -58.97 7.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.66 0.743 . . . . 63.1 110.924 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 60.34 112.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.5 m -112.01 32.66 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.795 HD21 ' HB1' ' A' ' 127' ' ' ALA . 10.8 mt -118.24 159.23 44.16 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 73.44 110.937 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.4 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.31 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.4 65.16 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -174.85 -70.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 50.24 110.837 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.63 69.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.846 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -56.28 -25.89 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.827 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.97 -24.3 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.149 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.19 -58.76 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.619 HG21 HG12 ' A' ' 54' ' ' VAL . 58.9 mt -57.45 -51.65 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.119 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.693 ' HB2' HD11 ' A' ' 58' ' ' LEU . 6.5 tm-20 -53.7 -28.22 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 60.4 110.892 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.57 -12.44 53.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 50.23 112.466 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.795 HG21 HD23 ' A' ' 120' ' ' LEU . 53.0 m -92.32 -57.15 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.694 0.283 . . . . 73.23 111.143 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.586 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.5 mm100 -51.38 -32.56 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.893 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.89 79.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.861 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.4 OUTLIER -73.01 -13.72 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.916 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 47' ' ' LEU . 1.2 tp -71.08 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.925 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -101.06 4.4 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -25.52 10.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 72.53 110.923 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -16.47 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.859 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -109.97 -21.04 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.11 110.866 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -60.34 -31.92 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.24 111.094 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -88.56 -32.43 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.3 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.6 tp -64.9 -53.98 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 65.22 110.937 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.78 HG12 HG11 ' A' ' 40' ' ' VAL . 34.7 mt -59.45 -36.41 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 72.4 111.146 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.34 -40.56 89.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.947 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -72.09 -20.55 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 55.54 110.89 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 51.6 mmm -71.02 -64.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 60.32 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -55.76 -24.17 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.857 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -90.57 -21.7 21.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.909 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -69.85 -49.15 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 43.5 111.098 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 25.69 4.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.955 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.92 158.03 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.927 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.06 82.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -121.49 113.11 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.107 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.22 -26.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.52 111.139 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 t -68.43 163.1 24.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.125 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.3 p -90.94 48.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.919 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.4 tt -95.84 -23.17 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.931 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.4 t -51.91 -30.37 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 73.24 110.835 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -55.3 -48.11 74.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 72.1 110.888 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.69 -34.28 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 64.31 110.86 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.49 -15.17 60.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 61.4 111.124 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.48 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.917 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -33.52 11.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 63.43 110.861 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.34 -31.6 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 54.02 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ttm -61.32 -58.36 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.885 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -55.45 -26.83 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.919 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.3 m -60.83 -25.65 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.1 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -87.3 -42.2 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.41 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.661 ' OG ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -55.16 -52.6 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 70.25 110.895 -179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.622 ' O ' HG23 ' A' ' 115' ' ' VAL . 21.8 t-160 -55.62 -31.7 62.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.83 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.6 m -52.81 -42.98 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 52.32 111.128 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 47' ' ' LEU . 5.5 mp -54.75 -27.26 39.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.782 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.1 -35.09 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.22 111.088 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 111' ' ' HIS . 99.2 t -52.47 -29.45 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.13 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.642 ' CG ' HD11 ' A' ' 75' ' ' LEU . 7.8 t70 -88.34 -28.69 20.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.661 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -53.45 -37.03 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 65.1 111.101 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -79.1 -50.9 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.45 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -56.15 -25.67 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.795 HD23 HG21 ' A' ' 72' ' ' THR . 3.0 tm? -86.0 -37.97 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.95 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 11' ' ' TYR . 16.7 tp -54.86 -27.44 42.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 61.33 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.67 -54.1 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 52.34 110.819 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.64 -45.01 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.114 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.694 HG21 HG11 ' A' ' 10' ' ' VAL . 96.9 t -66.9 -34.51 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.11 111.151 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.54 -29.96 62.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.869 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -93.62 -40.77 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.795 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -62.18 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 65.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -24.61 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 63.42 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 78.0 t -94.25 -28.86 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 52.15 111.105 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.47 -25.53 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 52.1 110.907 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.95 92.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.151 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -59.68 -42.35 92.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.895 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 31.3 mt -64.02 -26.48 68.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.09 146.15 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 22.22 111.12 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.873 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.796 0.332 . . . . 74.32 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -119.61 106.27 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.859 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -113.71 33.18 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.921 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.96 109.57 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 61.22 110.908 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -92.16 70.29 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 71.42 110.914 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.6 m -89.0 -19.12 26.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 62.24 111.138 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t0 58.89 22.32 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.863 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.08 164.95 12.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 61.43 110.858 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -123.88 -3.39 8.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 65.32 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 53' ' ' SER . 12.6 m -92.96 -23.49 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.35 111.091 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.722 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -86.29 -0.1 55.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.05 110.888 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.77 -50.02 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 62.31 110.948 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -68.95 -20.71 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.642 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 9.8 p -79.33 -25.2 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 65.5 111.163 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.6 ttm -60.61 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.618 ' HG3' HG21 ' A' ' 46' ' ' THR . 7.0 pt-20 -52.96 -33.06 49.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.41 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.591 HD13 ' HB ' ' A' ' 46' ' ' THR . 22.5 tp -65.47 -52.89 49.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.938 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' HB1' ' A' ' 114' ' ' ALA . 58.4 t -61.11 -19.12 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 65.52 111.135 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.39 -53.42 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.32 110.828 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.66 38.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.688 HG11 ' HB2' ' A' ' 114' ' ' ALA . 14.2 p -87.67 -21.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 73.34 111.108 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.576 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.4 tt -81.12 -30.14 34.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.75 -37.63 85.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.873 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 110' ' ' SER . 1.1 pp -68.28 -15.81 63.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.902 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.664 ' HA ' HD13 ' A' ' 107' ' ' LEU . 27.5 mtpt -69.33 -71.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.906 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.55 -21.56 65.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -94.71 20.81 8.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.861 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.0 tm? -82.0 -24.77 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.2 t -116.41 26.4 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -134.7 11.3 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.907 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt -151.94 155.93 33.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 73.12 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.78 20.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 70.12 112.309 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.38 3.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 51.33 112.324 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.28 -20.58 59.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -87.63 -12.02 67.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 70.11 112.499 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.703 ' O ' HG23 ' A' ' 40' ' ' VAL . 22.6 m-85 -90.37 -37.42 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 55.32 110.941 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.49 -26.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 61.34 111.136 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.93 -20.58 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 53.13 111.081 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 35' ' ' GLY . 85.4 t -85.99 -36.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.35 111.141 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 36' ' ' TYR . 36.4 t -52.33 -29.02 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.31 111.132 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -71.4 -46.87 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.932 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.14 -25.4 63.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.899 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 21' ' ' VAL . 85.3 t -81.92 -24.06 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 71.42 111.136 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.22 -5.54 37.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 53.02 112.476 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD23 ' HD3' ' A' ' 48' ' ' ARG . 3.9 mt -86.59 -14.8 41.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 73.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.618 HG21 ' HG3' ' A' ' 16' ' ' GLU . 1.1 m -85.91 -30.79 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 70.04 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.697 ' CD2' HD23 ' A' ' 113' ' ' LEU . 4.1 pp -81.16 -21.73 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 71.34 110.862 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.795 ' HD3' HD23 ' A' ' 45' ' ' LEU . 11.0 ptm180 -88.19 -16.66 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.833 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' CE ' HG23 ' A' ' 46' ' ' THR . 12.2 pttt -97.53 -31.13 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.55 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -78.33 -25.8 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.929 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.61 -32.01 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 70.21 111.127 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.94 -8.91 62.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 73.53 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.408 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -86.27 -36.98 19.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 71.32 110.895 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.6 HG12 HG21 ' A' ' 69' ' ' ILE . 7.4 t -89.17 -39.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 74.05 111.17 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.887 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.7 -28.1 55.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.861 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.3 9.8 42.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.6 mt -51.23 -59.32 7.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 74.15 110.956 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.73 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 73.43 112.353 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -84.03 -6.37 59.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 62.32 110.844 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.607 ' CB ' ' HB1' ' A' ' 127' ' ' ALA . 0.6 OUTLIER -127.04 159.84 62.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 75.15 110.952 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.83 29.62 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.699 2.266 . . . . 74.35 112.408 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.7 p -57.92 -25.47 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 42.41 110.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -34.6 36.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 54.44 110.836 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.613 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 17.6 m -112.21 -27.45 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 65.24 110.821 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.488 ' HG2' HD22 ' A' ' 58' ' ' LEU . 1.1 ttt180 -54.14 -60.57 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.882 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -52.15 -29.25 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.23 111.127 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -77.12 -44.8 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.901 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 54' ' ' VAL . 5.4 mt -66.86 -48.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 55.22 111.136 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' OE2' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -52.0 -35.52 46.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 55.42 110.917 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.76 -38.93 7.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 52.23 112.485 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.66 HG21 HD23 ' A' ' 120' ' ' LEU . 95.2 m -62.84 -51.59 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 74.31 111.111 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -59.67 -19.53 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 64.21 110.931 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -50.66 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -68.95 -16.54 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.905 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.2 -30.3 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -89.35 4.58 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.911 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -108.71 -21.44 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -68.01 -18.71 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.847 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.805 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.08 -18.78 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.916 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.516 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -57.36 -30.07 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.084 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -91.97 -31.01 15.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.2 tp -65.98 -43.81 86.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 43.33 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.534 HG12 HG11 ' A' ' 40' ' ' VAL . 36.8 mt -70.04 -42.97 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 53.41 111.086 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.61 -23.15 49.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 9.4 tppt? -85.68 -22.07 28.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.898 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -59.77 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 43.41 110.869 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.32 -19.12 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 61.5 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.7 tp -97.29 -13.13 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -80.06 -53.59 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.096 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -99.8 36.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 71.45 110.897 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.471 ' H ' ' NE2' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -58.35 -21.31 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.87 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.8 50.54 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.899 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.03 -2.17 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.21 111.087 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.92 76.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.23 111.127 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -153.67 156.67 38.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.25 111.107 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -69.16 -27.9 65.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.45 110.895 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -53.62 -33.9 56.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 72.41 110.906 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -24.25 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.11 110.85 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -74.48 -36.45 63.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.41 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 62.24 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.7 -22.38 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.13 111.104 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.58 -38.98 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.885 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -87.64 -38.0 16.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -65.73 -16.29 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.914 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.518 ' O ' HD13 ' A' ' 83' ' ' LEU . 10.3 ttm -82.99 -26.69 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.89 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 25' ' ' LYS . 8.1 tp -85.34 -37.41 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 t -63.75 -17.23 62.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.35 111.125 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.19 -33.86 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 64.12 111.06 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.639 ' HB2' HD21 ' A' ' 24' ' ' LEU . 93.6 p -58.36 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 64.05 110.819 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -55.17 -26.16 37.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 74.51 110.848 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -61.79 -18.47 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.183 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -82.73 -25.39 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.941 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.747 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.26 -36.72 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 62.21 111.102 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.95 -28.85 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 53.32 111.144 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.691 ' CG ' HD11 ' A' ' 75' ' ' LEU . 2.1 t0 -84.03 -37.86 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 51.53 110.883 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.642 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -55.92 -39.23 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.23 111.082 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.542 ' HE2' HG11 ' A' ' 18' ' ' VAL . 3.6 mptp? -66.83 -38.38 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 70.41 110.89 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -74.97 -25.37 58.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 120' ' ' LEU . 3.0 tm? -80.81 -33.17 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.954 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' A' ' 11' ' ' TYR . 5.7 tp -62.88 -52.07 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.917 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.07 -28.53 62.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.882 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.79 -54.64 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.116 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.19 -35.89 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 70.23 111.062 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.47 -33.34 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -90.74 -24.44 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.613 ' HB2' ' CB ' ' A' ' 65' ' ' SER . . . -70.29 -47.59 60.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 53.14 111.125 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -59.13 -21.62 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.5 t -76.8 -43.37 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 61.23 111.113 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -75.15 -18.9 60.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.43 110.896 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.46 -27.16 58.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 75.14 111.116 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -59.32 -47.39 85.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.922 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.6 pp -53.49 -28.42 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 63.11 110.927 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.47 107.28 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 33.44 111.056 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 11.6 p80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 55.45 110.822 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.779 0.323 . . . . 71.11 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -92.27 101.59 14.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.71 28.11 8.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 74.03 110.881 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.66 152.51 27.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.853 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -147.32 132.5 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 72.05 110.876 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 p -149.35 144.29 26.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 53.22 111.16 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.17 -39.19 63.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.897 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.65 74.17 2.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.848 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.6 tp -59.79 -34.5 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 70.14 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 124' ' ' VAL . 6.1 m -68.44 -12.0 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.119 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.526 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -94.58 -21.36 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 53.34 110.929 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.1 mt -78.9 -19.09 52.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 63.41 110.924 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -100.17 -21.25 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 61.21 110.872 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.801 HG22 ' HB1' ' A' ' 117' ' ' ALA . 4.1 p -85.4 -24.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 62.41 111.127 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.1 ttp -77.25 -22.25 52.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 73.14 110.835 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -74.19 -35.2 63.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.35 110.938 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD23 ' A' ' 47' ' ' LEU . 4.9 tt -73.23 -40.86 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.921 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.815 HG13 ' HB1' ' A' ' 114' ' ' ALA . 38.5 t -60.43 -18.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.43 111.147 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -88.03 -56.4 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.0 -23.76 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.125 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.739 HG11 ' HB2' ' A' ' 114' ' ' ALA . 8.8 p -87.81 -14.48 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 71.12 111.109 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.5 tt -87.65 -29.42 21.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 61.15 110.932 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -23.77 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.886 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.763 HD11 ' CB ' ' A' ' 110' ' ' SER . 1.5 pp -88.33 -2.75 58.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.941 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.618 ' HA ' HD13 ' A' ' 107' ' ' LEU . 34.5 mtpt -81.7 -55.21 4.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.903 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -77.33 -22.28 52.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -81.51 -0.55 42.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 65.42 110.863 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -51.82 -42.11 62.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.95 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -106.01 46.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -48.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.23 110.949 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.36 158.92 43.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 63.42 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.19 22.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.627 2.218 . . . . 74.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -30.68 22.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 73.52 112.363 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' O ' HG12 ' A' ' 37' ' ' VAL . 13.9 pt-20 -53.66 -36.99 62.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.9 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.619 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -85.97 -9.16 77.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 63.51 112.528 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.739 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.4 m-85 -85.16 -38.32 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.412 . . . . 72.43 110.912 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.1 p -59.92 -31.08 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 63.54 111.15 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.6 m -81.46 -19.15 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 53.45 111.108 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 35' ' ' GLY . 99.1 t -91.08 -34.8 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 54.51 111.114 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 36' ' ' TYR . 99.3 t -51.53 -29.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 63.24 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -42.89 71.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 60.2 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -69.48 -27.11 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 63.35 110.855 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.594 HG11 HG23 ' A' ' 21' ' ' VAL . 67.8 t -85.57 -20.54 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 72.24 111.105 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.31 -5.04 37.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 70.22 112.5 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.762 HD23 ' HD3' ' A' ' 48' ' ' ARG . 10.4 mt -90.34 -23.67 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 61.24 110.962 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.683 ' HB ' HD12 ' A' ' 17' ' ' LEU . 6.8 m -67.84 -46.06 72.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 63.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.699 HD23 HD11 ' A' ' 17' ' ' LEU . 1.4 pp -61.02 -49.8 75.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.904 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.762 ' HD3' HD23 ' A' ' 45' ' ' LEU . 3.7 ptm180 -67.92 -12.31 60.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.86 -27.0 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.917 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 14' ' ' VAL . 1.5 pp -95.05 -20.75 19.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.917 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.6 mt -54.58 -32.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.11 111.134 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.65 -17.46 72.98 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.48 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 m -74.94 -29.35 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 63.32 110.873 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.534 HG12 HG21 ' A' ' 69' ' ' ILE . 6.2 t -96.69 -35.08 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.137 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.61 -35.65 68.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 60.1 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -62.45 -19.33 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.867 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.89 24.6 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.86 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -60.79 -59.2 14.6 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.654 0.74 . . . . 60.13 110.918 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.72 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 73.02 112.395 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -68.07 -15.11 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.901 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' A' ' 127' ' ' ALA . 1.3 mm? -91.83 154.42 43.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 71.21 110.938 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.712 ' CG ' HD13 ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.75 179.99 3.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 72.52 112.335 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -77.55 61.12 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.854 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -170.29 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 50.13 110.838 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -98.79 -24.33 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.859 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -57.73 -30.85 65.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.817 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 m -70.54 -24.1 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.32 111.149 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.68 -59.92 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.534 HG21 HG12 ' A' ' 54' ' ' VAL . 64.3 mt -62.43 -42.61 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 54.21 111.101 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -15.52 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.936 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.5 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -100.85 -19.07 18.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 70.02 112.481 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.437 HG21 ' HG ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -95.34 -39.03 10.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.714 0.293 . . . . 72.03 111.136 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -69.79 -11.14 60.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -39.66 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.922 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.683 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -79.62 -16.93 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 62.31 110.908 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 47' ' ' LEU . 1.9 tp -57.95 -34.3 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.93 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -86.18 4.79 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.873 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -108.0 -20.55 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 52.32 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.77 -19.8 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 63.13 110.863 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.799 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.83 -17.24 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.14 110.91 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.24 -32.64 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 51.33 111.105 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.45 -30.6 17.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.731 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.2 tp -66.28 -49.94 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.02 -41.38 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.4 111.125 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.02 -34.07 76.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.851 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -72.91 -25.36 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 62.04 110.867 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 74.2 mmm -71.02 -60.35 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 72.53 110.865 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -56.73 -23.51 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 73.41 110.85 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 tp -90.51 -27.54 19.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.25 110.916 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.29 37.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 42.12 111.085 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.74 31.46 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.935 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -94.6 20.64 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 51.91 39.42 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.847 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.44 139.7 24.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 61.42 111.076 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.39 65.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.13 111.129 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 t -121.04 -7.89 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 70.21 111.139 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 63.43 27.32 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 65.44 110.874 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' H ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -121.4 -75.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.87 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.4 m 50.85 25.67 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.855 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -101.39 -54.33 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 70.15 110.877 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.438 ' H ' HD21 ' A' ' 98' ' ' LEU . 10.0 tt0 -58.12 -42.34 85.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.92 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.92 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.23 111.107 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -75.03 -33.0 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.933 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -87.91 -23.49 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -74.63 -43.93 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.898 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.591 ' O ' HD13 ' A' ' 83' ' ' LEU . 6.7 ptp -52.67 -35.81 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 72.15 110.867 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.618 HD13 ' HA ' ' A' ' 25' ' ' LYS . 7.9 tp -76.42 -40.68 50.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 64.11 110.872 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 m -58.55 -21.88 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.06 -36.26 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 74.03 111.069 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.763 ' CB ' HD11 ' A' ' 24' ' ' LEU . 2.8 m -56.97 -53.44 57.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.863 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -55.27 -27.73 48.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.0 m -58.0 -22.95 52.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 74.01 111.183 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.4 mp -79.17 -23.37 43.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.929 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.815 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -40.06 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 42.21 111.087 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.3 p -52.39 -28.99 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 71.34 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.683 ' CG ' HD11 ' A' ' 75' ' ' LEU . 3.2 t70 -80.72 -33.41 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.885 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.801 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -65.03 -15.18 62.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 71.43 111.137 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -82.82 -64.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -53.63 -28.23 31.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 52.23 110.893 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.8 OUTLIER -77.13 -39.7 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.898 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 121' ' ' LEU . 11.3 tp -51.7 -37.87 52.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 70.01 110.933 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -80.26 -27.29 38.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 54.41 110.84 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.422 ' HB3' HD23 ' A' ' 120' ' ' LEU . . . -60.54 -61.9 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.092 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 10' ' ' VAL . 7.9 p -60.52 -29.26 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -62.87 -29.62 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.844 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -102.85 -25.47 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 65.14 110.941 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' A' ' 61' ' ' LEU . . . -78.03 -47.82 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.12 111.105 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -55.48 -25.07 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.23 -36.28 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 60.13 111.167 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.712 HD13 ' CG ' ' A' ' 62' ' ' PRO . 6.6 mt -63.06 -18.79 63.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.98 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.04 -30.49 15.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 13.24 111.118 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -84.56 -42.19 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.864 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.499 HD12 HD23 ' A' ' 130' ' ' LEU . 42.1 mt -66.01 -25.01 66.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 70.02 110.867 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -51.51 140.36 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 52.44 111.1 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 54.21 110.883 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.738 0.304 . . . . 72.43 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -147.53 113.57 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 71.12 110.829 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.87 88.18 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 64.12 110.875 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.94 30.97 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 64.23 110.85 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -79.41 72.87 6.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 63.4 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.2 p -145.1 -178.2 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 72.24 111.136 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -95.54 33.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 60.4 110.846 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -51.88 137.18 26.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.837 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 9' ' ' LEU . 10.9 tp -116.25 -19.47 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 65.15 110.914 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 124' ' ' VAL . 30.0 t -88.86 -13.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.1 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.606 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -94.93 -24.82 16.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 62.22 110.924 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.6 mt -72.28 -22.33 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.937 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.99 -46.79 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 63.05 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.774 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 2.6 p -55.36 -25.81 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 52.35 111.129 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.4 ttp -69.34 -45.4 69.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.912 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.81 -32.88 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.858 HD11 HD23 ' A' ' 47' ' ' LEU . 8.4 tt -79.43 -50.58 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 71.12 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' A' ' 114' ' ' ALA . 49.3 t -58.6 -21.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.068 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -90.41 -46.63 8.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.855 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.87 -16.31 62.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 54.33 111.081 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.58 ' HA ' HD23 ' A' ' 24' ' ' LEU . 8.7 p -93.08 -18.89 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.121 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.8 tt -86.02 -29.39 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 70.15 110.943 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -70.06 -23.09 63.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.876 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.2 pp -88.75 -3.24 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.864 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 107' ' ' LEU . 21.4 mtpt -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.945 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.1 -21.68 60.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -92.58 0.21 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.915 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -51.71 -43.24 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 71.32 110.903 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -93.1 43.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 63.12 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -134.36 -40.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 71.55 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -129.01 159.85 66.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 74.43 110.908 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.3 Cg_endo -69.8 169.2 19.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 71.04 112.341 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' HB3' ' HE1' ' A' ' 106' ' ' MET . 53.8 Cg_endo -69.8 -15.94 37.18 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.7 2.267 . . . . 70.25 112.348 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 37' ' ' VAL . 27.4 tp10 -71.02 -15.57 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.875 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.02 -30.05 8.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.673 -0.775 . . . . 73.33 112.462 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.8 m-85 -72.96 -30.79 64.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.845 0.355 . . . . 72.32 110.9 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 34' ' ' GLU . 6.9 p -51.16 -30.36 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 75.13 111.136 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.23 -29.67 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.104 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.1 t -72.36 -37.43 58.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 65.11 111.129 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' TYR . 41.4 t -55.71 -24.84 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 64.41 111.101 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.72 -52.32 39.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.923 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.491 HD21 HG13 ' A' ' 39' ' ' VAL . 5.0 p30 -71.91 -20.77 61.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.881 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 39' ' ' VAL . 92.4 t -84.19 -23.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.14 111.081 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.14 -14.61 20.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 64.41 112.522 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' A' ' 48' ' ' ARG . 10.1 mt -84.31 -4.74 59.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 71.3 110.92 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.689 ' HB ' HD12 ' A' ' 17' ' ' LEU . 2.1 m -84.27 -47.65 10.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.55 111.138 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.858 HD23 HD11 ' A' ' 17' ' ' LEU . 1.7 pp -62.46 -47.22 85.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 70.14 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.789 ' HD2' HD23 ' A' ' 45' ' ' LEU . 18.8 ptp180 -67.41 -12.64 60.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.01 110.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -96.53 -29.91 13.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.23 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.1 -22.04 20.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.898 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.6 mt -54.86 -33.55 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.097 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.28 -13.06 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 53.13 112.492 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 m -86.87 -28.33 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 74.43 110.823 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 69' ' ' ILE . 2.9 t -97.82 -31.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.748 ' HA ' HD23 ' A' ' 58' ' ' LEU . 8.1 t70 -73.92 -17.94 60.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.857 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.38 -23.83 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.14 110.85 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.75 4.61 47.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -50.92 -60.0 6.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.738 . . . . 55.12 110.922 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.83 -8.39 23.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 64.11 112.346 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -101.32 0.64 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.851 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.676 HD22 HD12 ' A' ' 69' ' ' ILE . 1.2 mp -97.03 160.39 29.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 62.02 110.942 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -174.99 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 71.42 112.315 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.7 p -94.24 53.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.02 110.843 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -149.94 -46.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -100.45 -20.93 15.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 60.33 110.855 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -52.78 -50.21 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 72.11 110.858 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.403 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 2.6 m -71.24 -9.69 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.12 111.148 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.47 -47.0 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.883 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.715 HG21 HG12 ' A' ' 54' ' ' VAL . 18.6 mt -72.3 -39.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 55.51 111.133 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HB3' HD11 ' A' ' 58' ' ' LEU . 1.6 pp20? -53.08 -35.37 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.845 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.56 -2.3 65.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 64.13 112.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.683 HG21 ' HG ' ' A' ' 120' ' ' LEU . 98.4 m -96.18 -43.31 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 74.54 111.118 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -61.65 -17.58 56.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -40.59 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.92 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -74.6 -24.0 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.12 110.885 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 47' ' ' LEU . 2.0 tp -61.92 -17.43 56.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 52.55 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.77 4.29 54.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -101.83 -28.94 12.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.91 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.27 -27.64 67.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.918 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.779 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -104.85 -7.01 19.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.948 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.03 62.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.069 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -94.25 -30.79 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.874 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.2 tp -67.02 -54.12 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.896 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.459 HG12 HG11 ' A' ' 40' ' ' VAL . 37.3 mt -56.28 -49.36 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.115 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.68 -25.73 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 64.44 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -80.1 -26.55 39.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 52.13 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.457 ' HE1' ' HB2' ' A' ' 36' ' ' TYR . 53.0 mmm -69.12 -56.5 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.855 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -61.57 -17.96 57.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.902 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.483 HD12 HE22 ' A' ' 92' ' ' GLN . 20.9 tp -98.25 -17.28 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.874 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.564 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . . . -93.06 -22.51 19.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 51.41 111.097 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -126.19 26.66 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.93 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.483 HE22 HD12 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -51.02 168.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.912 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.87 59.37 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.33 110.878 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.41 -174.89 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 54.24 111.114 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.81 58.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -110.24 174.74 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.142 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.7 p -98.73 -24.85 14.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.826 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.42 -28.02 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.937 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -25.68 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.81 -36.06 69.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 60.33 110.848 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.27 -33.84 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 63.54 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 90' ' ' ALA . . . -68.06 -23.06 64.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 40.42 111.073 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.79 -34.69 78.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 74.13 110.881 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -89.29 -20.89 23.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -87.36 -24.08 24.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 55.24 110.921 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.535 ' O ' HD13 ' A' ' 83' ' ' LEU . 8.5 ptp -75.13 -26.86 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.852 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -82.34 -25.74 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 63.52 110.9 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -24.7 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.45 111.155 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.26 -30.43 19.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 64.43 111.097 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.698 ' HA ' HD22 ' A' ' 83' ' ' LEU . 19.6 m -57.53 -56.86 16.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.851 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -54.44 -26.33 30.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 45.3 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.508 ' HA ' HG12 ' A' ' 115' ' ' VAL . 2.9 m -59.7 -20.5 56.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.33 111.104 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.6 mp -77.9 -23.97 48.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 63.34 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.703 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.12 -49.09 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.085 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 112' ' ' THR . 5.7 p -51.62 -29.29 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.137 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -88.82 -29.13 19.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.86 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.774 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -70.56 -24.24 62.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 72.42 111.123 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -76.86 -26.05 53.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -70.3 -29.34 66.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 60.34 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.683 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.7 OUTLIER -78.55 -40.69 34.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.916 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' ' 11' ' ' TYR . 12.5 tp -54.27 -38.58 66.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.915 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -31.53 71.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.857 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.03 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.099 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 10' ' ' VAL . 17.4 m -57.58 -27.58 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.45 111.106 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.75 -52.6 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 62.44 110.875 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -76.29 -27.14 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.916 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -70.45 -42.92 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.076 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -23.67 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.905 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.8 -36.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 72.45 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 65.1 mt -81.17 -26.21 36.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 54.05 110.908 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.22 86.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 55.32 111.093 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.2 -35.06 79.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 71.42 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.66 -25.62 68.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.906 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.53 166.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 75.25 111.092 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 14.3 m170 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.84 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.796 0.331 . . . . 64.2 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -113.36 61.64 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 61.5 110.88 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 pp -122.85 27.15 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.9 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -119.37 26.18 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.907 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 58.96 43.59 17.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.853 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.5 t -84.91 -1.07 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.18 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -103.45 -28.56 11.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.868 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -103.5 117.64 34.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.35 24.71 4.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 64.2 110.944 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 124' ' ' VAL . 69.9 t -88.04 -43.42 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 61.43 111.141 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.602 ' HB2' HD13 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -76.99 -18.15 58.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.9 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD22 ' CD2' ' A' ' 11' ' ' TYR . 2.3 mm? -73.42 -18.79 61.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 62.03 110.918 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -99.95 -46.81 5.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.887 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 10' ' ' VAL . 8.6 m -51.84 -29.79 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.52 111.152 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.2 ttm -59.01 -63.49 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.899 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -51.88 -29.95 21.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.844 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' HB ' ' A' ' 46' ' ' THR . 25.9 tp -70.98 -54.41 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.924 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.943 HG13 ' HB1' ' A' ' 114' ' ' ALA . 99.6 t -60.35 -22.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.2 111.153 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -80.51 -52.57 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.903 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.62 -36.73 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 73.11 111.143 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.0 p -77.32 -22.32 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 73.35 111.157 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.7 tt -72.74 -29.93 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 72.15 110.954 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.53 -51.92 37.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.61 HD23 HG21 ' A' ' 43' ' ' VAL . 1.1 pp -58.67 -22.07 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.05 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HA ' HD12 ' A' ' 107' ' ' LEU . 10.8 mtpt -71.9 -69.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 65.22 110.88 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -59.64 -26.3 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 62.24 110.864 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.96 20.41 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.666 HD11 ' HG2' ' A' ' 103' ' ' LYS . 3.1 tm? -76.32 -25.3 54.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 74.54 110.958 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.3 t -108.21 43.87 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.812 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -134.53 -41.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.09 160.29 31.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 73.43 110.93 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.37 21.76 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 74.21 112.352 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 61.43 112.285 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -97.1 22.58 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 53.15 110.907 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.44 -37.36 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 74.14 112.504 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.739 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.9 m-85 -65.62 -14.7 61.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.898 0.38 . . . . 74.14 110.934 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.99 -12.52 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 64.31 111.129 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -93.55 -33.79 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.13 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.12 -24.99 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.54 111.1 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 36' ' ' TYR . 59.3 t -60.86 -18.78 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.15 111.089 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -78.15 -58.34 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.913 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.451 ' OD1' HG23 ' A' ' 43' ' ' VAL . 23.8 p30 -66.88 -21.32 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.3 110.859 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG21 HD23 ' A' ' 24' ' ' LEU . 52.5 t -83.93 -27.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.51 111.122 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.13 1.54 37.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 62.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.675 HD23 ' HD3' ' A' ' 48' ' ' ARG . 5.5 mt -96.82 -20.98 17.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.364 . . . . 74.23 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.487 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.82 -16.52 60.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 64.31 111.114 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' A' ' 50' ' ' LEU . 3.9 pp -92.17 -42.33 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.907 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.675 ' HD3' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -68.22 -13.97 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.869 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -39.97 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 63.03 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -68.39 -25.68 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.939 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 48' ' ' ARG . 20.6 mt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 71.4 111.132 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.57 -12.19 58.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.744 . . . . 64.42 112.476 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.5 p -85.58 -47.44 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 75.3 110.857 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 HD13 ' A' ' 69' ' ' ILE . 3.0 t -78.13 -18.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 41.54 111.136 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.87 -22.81 39.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 53.33 110.865 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.508 ' HB3' HD22 ' A' ' 57' ' ' LEU . 51.5 t0 -58.78 -32.87 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 60.44 110.898 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 56' ' ' ASP . 2.1 mm? -119.0 18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 65.24 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -51.07 -57.48 13.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 54.02 110.906 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.76 -6.34 18.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 53.54 112.321 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -91.67 14.69 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 52.24 110.865 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.024 HD22 ' HB1' ' A' ' 127' ' ' ALA . 4.0 mt -110.13 156.35 40.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 74.12 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.73 -168.66 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.25 . . . . 61.34 112.323 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -89.3 11.16 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 41.12 110.84 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.3 t -120.23 -17.63 8.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.839 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -112.29 -37.05 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 71.54 110.851 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -54.26 -47.42 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 65.44 110.883 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.4 m -60.04 -20.43 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.1 111.09 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.03 -60.7 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 61.32 110.927 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.716 HD12 ' CD1' ' A' ' 61' ' ' LEU . 67.9 mt -68.24 -46.41 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.126 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.14 -22.1 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.52 -11.28 33.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 34.21 112.468 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.7 HG21 HD23 ' A' ' 120' ' ' LEU . 66.9 m -95.76 -48.29 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 62.44 111.123 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB3' HG23 ' A' ' 51' ' ' ILE . 4.6 mm-40 -59.64 -21.63 60.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -39.96 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.895 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.7 OUTLIER -73.57 -18.13 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 52.12 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 51' ' ' ILE . 1.2 tp -59.15 -25.7 64.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 53.21 110.883 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -91.97 4.73 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.6 -24.02 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 70.44 110.876 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.44 -23.12 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.41 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.773 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.24 -10.35 15.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 65.23 110.896 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.506 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -61.88 -27.19 68.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.101 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.2 -28.73 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 75.14 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.3 tp -69.29 -44.75 71.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 63.44 110.91 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.37 -34.31 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.51 111.142 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.49 -55.59 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 74.1 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 14.2 tppt? -68.6 -15.54 63.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 64.22 110.885 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 tpt -69.63 -67.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.885 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -58.08 -22.16 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.882 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.0 tp -90.72 -17.01 27.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 61.13 110.956 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -70.37 -35.35 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.093 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -95.2 24.56 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.863 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.728 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -58.89 149.66 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 72.54 110.913 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -100.94 80.19 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.917 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.728 ' HB3' ' OE1' ' A' ' 92' ' ' GLN . . . -144.45 149.44 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.01 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.29 -22.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 61.42 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -51.59 135.25 28.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 71.45 111.12 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -77.52 -16.19 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.881 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 98' ' ' LEU . 3.8 tt -51.87 -29.68 20.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 62.15 110.897 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -51.76 -30.3 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 62.43 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.62 -39.29 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 52.24 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.73 -26.67 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.911 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.95 -24.38 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.04 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.666 ' HG2' HD11 ' A' ' 28' ' ' LEU . 16.8 ttpt -55.7 -59.47 4.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.924 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -70.79 -31.42 68.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 108' ' ' THR . 68.5 mm-40 -74.6 -7.3 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 64.53 110.903 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.82 -52.86 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.904 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.5 tt -62.26 -23.93 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.939 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 105' ' ' GLN . 14.4 t -66.46 -24.5 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.123 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.71 14.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 65.2 111.103 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.578 ' HA ' HD22 ' A' ' 83' ' ' LEU . 84.1 p -55.55 -50.58 69.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.838 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.594 ' O ' HG23 ' A' ' 115' ' ' VAL . 15.7 t-160 -53.3 -33.33 52.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.863 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 m -53.28 -40.94 65.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 74.31 111.138 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.7 mp -59.51 -25.12 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.91 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -93.67 -44.66 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.14 111.098 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 111' ' ' HIS . 22.1 t -57.99 -23.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 72.02 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.585 ' OD1' HD11 ' A' ' 75' ' ' LEU . 7.5 m-20 -90.04 -14.68 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.582 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -94.22 21.79 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.21 111.12 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.18 -60.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.932 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -61.54 -18.66 60.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 72' ' ' THR . 3.1 tm? -78.36 -30.49 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 72.13 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.602 HD13 ' HB2' ' A' ' 11' ' ' TYR . 9.4 tp -58.26 -41.48 84.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.02 110.867 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.87 -27.56 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.857 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 120' ' ' LEU . . . -68.38 -50.32 53.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 44.4 111.093 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 10' ' ' VAL . 6.3 p -64.02 -33.18 60.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 65.3 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.0 -28.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 63.25 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.666 ' O ' HD23 ' A' ' 130' ' ' LEU . 24.7 mm100 -104.18 7.47 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.94 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 1.024 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -108.44 -41.39 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 61.31 111.086 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -22.79 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.916 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.7 t -84.19 -39.11 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 44.52 111.147 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 133' ' ' LEU . 3.7 mm? -61.09 -24.08 65.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.11 -23.64 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 51.15 111.123 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -115.42 28.11 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 72.3 110.903 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 130' ' ' LEU . 1.5 pp -79.67 -25.82 41.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.909 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.29 168.32 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.08 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.83 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.778 0.323 . . . . 42.23 111.085 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -115.28 67.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.91 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.519 HD12 HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -120.77 40.45 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.958 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.5 146.79 31.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.84 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 60.28 29.21 18.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.834 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.3 m -113.82 141.27 47.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 71.54 111.158 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -119.68 -36.29 3.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 64.24 110.857 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -88.17 50.71 2.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.853 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.3 pt? -99.23 -20.6 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.934 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.736 HG11 HG11 ' A' ' 124' ' ' VAL . 3.5 p -54.48 -26.26 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 73.51 111.157 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.99 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.918 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -74.64 -28.53 60.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 72.35 110.931 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -86.71 -55.13 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.01 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.764 HG13 ' HB1' ' A' ' 117' ' ' ALA . 39.3 t -52.3 -28.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.115 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.0 ttm -56.76 -53.74 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.9 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.591 ' HG3' HG21 ' A' ' 46' ' ' THR . 4.8 pt-20 -69.83 -23.59 63.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 75.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 46' ' ' THR . 27.0 tp -68.7 -47.72 65.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.953 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.749 HG13 ' HB1' ' A' ' 114' ' ' ALA . 23.1 t -69.2 -24.94 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 70.12 111.111 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.51 -51.56 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.891 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -34.91 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.22 111.118 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 114' ' ' ALA . 8.9 p -78.35 -18.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.11 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.0 tp -81.48 -27.53 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -71.25 -38.1 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.587 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.3 pp -72.94 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.01 110.913 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HA ' HD12 ' A' ' 107' ' ' LEU . 10.6 mmmt -74.53 -50.46 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.914 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -76.85 -24.48 52.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 61.23 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.91 -5.12 47.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.843 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.611 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -51.4 -36.84 45.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.885 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.6 t -117.15 46.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 65.01 110.822 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -144.85 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -112.04 155.88 42.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 75.22 110.874 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 168.7 20.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 64.33 112.305 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.87 35.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 72.31 112.374 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.494 ' O ' HG12 ' A' ' 37' ' ' VAL . 40.4 tp10 -73.19 -14.13 61.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 75.23 110.886 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.81 -37.15 6.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 60.5 112.532 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.0 m-85 -57.62 -36.51 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 72.41 110.865 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 34' ' ' GLU . 14.3 p -56.84 -24.22 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 71.41 111.14 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.25 -22.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 65.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 43' ' ' VAL . 58.3 t -84.11 -45.94 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.131 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 36' ' ' TYR . 37.1 t -51.16 -30.13 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.52 111.087 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.76 -51.06 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.923 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -71.43 -24.04 61.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.15 110.87 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 39' ' ' VAL . 88.8 t -79.53 -25.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.125 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.8 30.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.455 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.802 HD23 ' HD3' ' A' ' 48' ' ' ARG . 5.9 mt -83.92 -16.09 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.874 0.369 . . . . 75.42 110.874 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.652 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.71 -50.06 16.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.168 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.545 HD21 HD23 ' A' ' 80' ' ' LEU . 2.8 pp -60.07 -45.82 91.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.32 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.802 ' HD3' HD23 ' A' ' 45' ' ' LEU . 6.7 ptm180 -67.74 -12.94 61.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.864 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -96.83 -23.7 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.912 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 50' ' ' LEU . 3.8 pp -101.02 -11.24 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 61.25 110.912 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 48' ' ' ARG . 5.3 mt -64.19 -30.36 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 61.01 111.104 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.82 0.29 82.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 64.02 112.518 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 t -92.81 -30.32 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 54.51 110.844 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.6 ' HA ' HD21 ' A' ' 57' ' ' LEU . 2.1 t -97.75 -0.87 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 62.14 111.154 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -86.76 -27.12 23.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.857 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -73.1 -8.58 56.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 52.15 110.837 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.659 HD12 HD11 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -117.91 -9.41 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.906 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 61' ' ' LEU . 1.6 mt -47.65 -59.98 4.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.701 . . . . 74.42 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.77 -8.68 24.22 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.256 . . . . 73.51 112.344 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -110.53 31.2 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 42.11 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.778 ' CD2' ' HB1' ' A' ' 127' ' ' ALA . 13.5 mt -119.32 158.85 47.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.569 0.7 . . . . 73.14 110.962 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HG3' HD13 ' A' ' 130' ' ' LEU . 53.6 Cg_endo -69.8 169.19 19.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 64.03 112.345 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.1 m -80.26 58.59 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.891 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -162.85 -40.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 61.32 110.853 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 69' ' ' ILE . 11.0 p -96.73 -33.31 11.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.84 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.01 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.858 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -58.14 -26.43 62.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 64.43 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 44.32 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.503 HD13 ' CD1' ' A' ' 61' ' ' LEU . 3.2 mt -57.74 -45.06 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 73.2 111.126 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.72 -29.12 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.926 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.41 -31.78 6.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 53.35 112.452 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.556 HG21 ' HG ' ' A' ' 120' ' ' LEU . 5.3 m -66.87 -45.16 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 53.34 111.107 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.504 ' OE1' HD11 ' A' ' 120' ' ' LEU . 2.9 mm100 -66.71 -20.22 65.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 60.33 110.903 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -45.3 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 75.4 110.873 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.651 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -78.59 -13.54 59.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 55.24 110.932 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.5 tp -62.51 -16.79 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.926 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -102.03 5.0 40.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.863 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -106.47 -35.33 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.901 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.2 -26.75 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.94 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.796 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -102.84 -14.58 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 65.21 110.926 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.555 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -62.16 -35.68 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 53.45 111.121 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -89.29 -29.92 18.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.1 tp -66.08 -49.11 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.941 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 mt -59.08 -41.18 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.129 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.53 -54.88 42.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.886 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 13.4 tptt -61.34 -19.11 61.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 73.15 110.896 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -65.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.91 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -57.41 -22.89 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 55.34 110.833 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.1 tp -91.46 -17.31 25.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 72.1 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 86' ' ' LYS . . . -70.65 -35.3 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 51.14 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.15 23.85 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.928 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.575 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -59.81 150.14 29.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.955 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -108.41 70.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.891 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.575 ' HB3' ' OE1' ' A' ' 92' ' ' GLN . . . -112.62 -169.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 43.33 111.103 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 95' ' ' VAL . 6.7 p -114.5 23.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.121 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.662 HG22 ' H ' ' A' ' 98' ' ' LEU . 3.8 m -53.87 148.08 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 73.54 111.181 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.4 m -88.56 -18.16 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 55.14 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.662 ' H ' HG22 ' A' ' 96' ' ' THR . 4.2 tp -100.45 -73.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 p 54.1 22.88 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.85 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -100.69 -45.77 5.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 65.52 110.882 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -55.58 -32.86 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.915 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.54 -18.02 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.1 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -90.87 -43.41 10.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 63.41 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.69 -26.52 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.862 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -74.9 -13.64 60.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.491 ' O ' HD13 ' A' ' 83' ' ' LEU . 8.6 ttm -87.31 -26.8 23.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 65.45 110.882 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -87.01 -32.82 19.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.44 110.889 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -66.03 -22.19 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.157 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.62 -36.85 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 61.3 111.126 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.755 ' HA ' HD22 ' A' ' 83' ' ' LEU . 97.0 p -56.69 -54.61 44.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.24 110.87 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.752 ' O ' HG23 ' A' ' 115' ' ' VAL . 2.7 t60 -52.82 -30.89 35.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 m -53.87 -33.24 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 64.32 111.13 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.0 mp -67.06 -39.05 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.908 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.749 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -79.92 -31.14 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.102 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 111' ' ' HIS . 85.6 t -56.83 -23.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.116 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.651 ' CG ' HD11 ' A' ' 75' ' ' LEU . 4.4 t0 -91.01 -44.61 9.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.895 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.764 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -55.47 -25.41 36.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.41 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -67.56 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.868 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.49 -25.96 52.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.556 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.5 OUTLIER -77.29 -43.38 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.44 110.956 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.0 tp -53.8 -27.83 31.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.951 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.63 -26.29 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 62.11 110.896 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.65 -59.74 3.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.33 111.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.736 HG11 HG11 ' A' ' 10' ' ' VAL . 23.4 t -59.56 -34.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.04 111.103 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.31 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 70.13 110.893 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -97.16 -28.07 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.23 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.778 ' HB1' ' CD2' ' A' ' 61' ' ' LEU . . . -69.49 -50.17 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.24 111.128 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -21.21 58.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.7 t -86.06 -25.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.44 111.148 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.846 HD23 HD22 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -65.21 -33.08 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.929 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.03 -29.69 22.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.074 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -110.2 35.12 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.846 HD22 HD23 ' A' ' 130' ' ' LEU . 1.5 pp -87.75 -30.01 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 70.13 110.894 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.34 114.82 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.05 111.119 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.766 0.317 . . . . 74.42 111.062 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -79.03 110.09 13.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 73.53 110.856 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 26.7 mt 55.45 53.59 9.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.887 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.67 90.41 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.911 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -125.87 124.66 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.865 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 t -155.78 165.17 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 65.43 111.107 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -94.32 40.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 62.1 110.835 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -87.51 85.29 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 63.22 110.91 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.26 -30.61 28.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.3 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 14' ' ' VAL . 85.1 t -58.22 -36.99 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.02 111.155 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.754 ' HB2' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -79.39 -18.7 51.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 74.32 110.916 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.519 HD22 ' CE2' ' A' ' 11' ' ' TYR . 1.8 mm? -72.58 -18.16 61.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 63.03 110.928 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -100.33 -47.67 4.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 70.4 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.804 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 10.1 m -51.48 -29.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 54.32 111.139 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttp -60.37 -58.76 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 65.2 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -51.71 -36.8 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.05 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD23 ' HB2' ' A' ' 117' ' ' ALA . 23.9 tp -61.54 -45.7 93.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 73.15 110.932 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 ' HB1' ' A' ' 114' ' ' ALA . 59.0 t -68.15 -20.44 25.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.22 111.125 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -85.46 -50.19 7.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.881 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.93 -24.53 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 45.45 111.142 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 114' ' ' ALA . 10.2 p -93.24 -8.92 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 74.11 111.139 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 -26.61 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 63.41 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -74.28 -30.41 62.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.859 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.632 HD23 HG21 ' A' ' 43' ' ' VAL . 1.6 pp -83.49 -2.8 56.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 72.32 110.931 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HA ' HD12 ' A' ' 107' ' ' LEU . 18.7 mttt -81.84 -61.15 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.936 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -71.95 -22.86 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.849 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -90.05 11.66 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -75.2 -25.4 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.907 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 p -109.28 44.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.839 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -135.72 -51.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.942 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.3 160.68 28.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 75.13 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.24 19.36 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 73.43 112.353 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -8.64 24.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 74.41 112.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -78.26 -3.53 43.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 64.25 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.16 -47.2 1.09 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 40.33 112.447 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.751 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.6 m-85 -53.28 -30.47 38.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 72.55 110.926 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.39 -25.79 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 63.01 111.152 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.45 -29.19 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -76.51 -25.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.132 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' TYR . 51.3 t -66.23 -17.11 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 54.22 111.169 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.2 -54.63 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 64.23 110.918 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.39 -23.89 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.917 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.81 HG12 HD22 ' A' ' 113' ' ' LEU . 74.5 t -80.27 -26.49 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 54.42 111.123 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.24 -4.44 38.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 51.05 112.486 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 48' ' ' ARG . 5.7 mt -92.12 -6.59 50.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.93 0.395 . . . . 65.23 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.443 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -90.05 -28.28 19.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.068 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.797 HD21 HD23 ' A' ' 80' ' ' LEU . 4.6 pp -85.8 -32.48 21.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 61.14 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.765 ' HA ' HD12 ' A' ' 51' ' ' ILE . 17.2 ptp180 -77.79 -14.71 59.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.874 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.85 -35.14 11.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 63.3 110.929 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.06 -24.04 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 54.12 110.901 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 48' ' ' ARG . 19.2 mt -59.34 -27.8 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 51.5 111.149 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.94 1.47 74.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 54.32 112.459 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.87 -27.78 13.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 74.44 110.878 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.695 HG12 HD13 ' A' ' 69' ' ' ILE . 2.7 t -97.86 -23.84 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 64.34 111.144 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.28 -20.86 60.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.851 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -73.33 -12.13 60.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.887 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.01 -2.8 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 45.13 110.923 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 6.1 mt -49.27 -59.71 6.07 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.645 0.736 . . . . 74.13 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.83 -7.58 21.43 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 74.31 112.321 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -113.66 25.26 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.904 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.707 HD21 ' HB1' ' A' ' 127' ' ' ALA . 9.9 mt -117.64 159.0 43.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.25 110.92 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -174.89 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 73.44 112.373 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.3 p -92.02 51.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -152.63 -47.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 52.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 m -92.99 -34.81 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.846 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -52.52 -44.92 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -71.55 -19.73 62.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.32 111.137 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -60.78 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 62.2 110.876 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.695 HD13 HG12 ' A' ' 54' ' ' VAL . 22.9 mt -54.53 -41.17 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.144 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.39 -35.25 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 61.32 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.44 -8.81 59.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 53.24 112.526 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.781 ' CG2' HD12 ' A' ' 120' ' ' LEU . 28.4 m -93.37 -49.26 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.289 . . . . 75.31 111.11 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.17 -32.67 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.1 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.875 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 72' ' ' THR . 0.4 OUTLIER -67.56 -20.37 65.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.92 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.85 -19.75 60.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.924 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.425 ' HA ' HD11 ' A' ' 80' ' ' LEU . 12.5 m-80 -94.81 4.58 53.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -103.38 -24.76 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.879 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.623 ' OD1' HG22 ' A' ' 112' ' ' THR . 12.8 m-20 -65.22 -24.7 67.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 74.55 110.887 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.797 HD23 HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -106.49 -12.16 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 54.3 110.953 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.81 -32.32 73.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.141 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -88.64 -32.1 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 70.42 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.554 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.0 tp -65.76 -53.45 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.884 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.568 HG12 HG11 ' A' ' 40' ' ' VAL . 17.0 mt -61.87 -42.7 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.153 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.35 -29.89 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.891 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -76.1 -24.05 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 73.05 110.916 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.9 tpp -72.44 -57.07 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.877 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -60.5 -18.6 52.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.848 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 tp -98.28 -20.95 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.883 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.83 -57.8 3.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.34 111.095 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -79.06 -2.05 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 62.12 110.927 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.88 154.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -74.32 83.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.65 170.15 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 62.32 111.106 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.91 30.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.104 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -149.17 170.42 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.172 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -75.79 73.27 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.833 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.0 tp -113.58 -25.52 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -52.01 -43.0 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.11 110.894 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -65.27 -39.18 92.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 65.24 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -67.51 -50.66 57.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.877 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.65 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.047 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -58.02 -49.04 78.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -78.02 -39.65 41.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -62.77 -26.47 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.933 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.8 ttp -65.12 -61.13 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.872 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -57.62 -24.38 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.8 m -63.34 -24.47 67.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 75.44 111.132 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.42 -27.66 18.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.09 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.554 ' HA ' HD22 ' A' ' 83' ' ' LEU . 1.4 m -60.85 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 43.51 110.857 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 115' ' ' VAL . 1.9 t-80 -51.17 -34.58 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.891 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.623 HG22 ' OD1' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -54.76 -41.01 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.44 111.127 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.81 HD22 HG12 ' A' ' 43' ' ' VAL . 4.9 mp -61.87 -18.26 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.913 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.944 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -97.05 -32.59 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 54.42 111.084 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 111' ' ' HIS . 4.8 t -80.45 -24.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.51 111.111 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.32 -12.41 60.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 54.34 110.877 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.804 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -88.64 -21.4 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 52.43 111.091 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -87.9 -35.83 17.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.869 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -61.97 -34.82 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.781 HD12 ' CG2' ' A' ' 72' ' ' THR . 3.2 tt -75.15 -49.54 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.11 110.893 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -48.65 -33.27 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.877 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.43 -43.2 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.898 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.85 -23.39 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.13 111.104 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 120' ' ' LEU . 43.0 t -81.7 -36.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.141 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -51.22 -51.17 56.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.858 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -69.66 -27.08 64.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.907 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.707 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -65.17 -50.71 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.15 111.126 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.77 -23.78 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 63.24 110.947 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.4 t -81.14 -39.83 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 71.02 111.107 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.416 HD23 HD12 ' A' ' 133' ' ' LEU . 59.6 mt -77.8 -26.04 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.15 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.087 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -69.35 -40.88 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.899 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 130' ' ' LEU . 59.6 mt -64.39 -26.33 68.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 71.42 110.905 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.15 134.47 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 51.34 111.098 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 20.9 m80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 65.34 110.904 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.796 0.331 . . . . 64.51 111.089 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 58.86 49.65 9.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 64.1 110.879 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -118.53 37.19 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.31 110.893 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.95 62.02 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 74.54 110.861 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -65.27 100.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.03 110.874 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.6 132.03 56.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.22 111.119 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -117.95 49.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 70.13 110.861 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -131.47 119.24 21.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 53.31 110.906 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 12' ' ' LEU . 2.2 pt? -56.98 -24.15 51.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.936 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 124' ' ' VAL . 87.5 t -56.56 -26.43 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.159 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.672 ' HA ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -95.25 -19.54 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.947 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 9' ' ' LEU . 6.9 mt -69.42 -15.85 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.932 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -100.73 -42.83 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.55 110.875 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.805 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 10.7 m -65.29 -30.27 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 41.13 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -58.92 -40.82 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.18 -29.06 67.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.884 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.4 tt -78.54 -50.52 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 71.53 110.928 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.936 HG13 ' HB1' ' A' ' 114' ' ' ALA . 18.0 t -61.62 -25.21 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.117 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -85.24 -36.39 20.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.87 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.8 -19.58 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 71.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.868 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.3 p -93.08 -18.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.164 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 18' ' ' VAL . 1.6 mm? -85.38 -25.23 27.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 53.12 110.934 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.77 -16.14 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 61.3 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -91.13 -6.2 53.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 54.12 110.931 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 107' ' ' LEU . 40.1 mtpt -91.36 -53.24 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.945 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.64 -12.69 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 71.34 110.843 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -101.91 -0.78 33.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.889 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -51.6 -36.76 46.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.92 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -99.1 42.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.869 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -131.57 -59.37 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD11 ' CZ ' ' A' ' 36' ' ' TYR . 0.4 OUTLIER -112.99 160.69 29.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 70.23 110.903 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.01 19.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 75.34 112.322 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -35.33 12.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 43.32 112.351 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 37' ' ' VAL . 11.1 tp10 -54.35 -35.13 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 63.24 110.891 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.715 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -84.69 -9.69 80.71 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.766 -0.73 . . . . 64.04 112.459 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -80.97 -20.49 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 75.43 110.927 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.8 p -59.24 -18.44 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 72.42 111.095 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 35' ' ' GLY . 7.4 p -88.26 -10.57 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.137 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 36' ' ' TYR . 0.3 OUTLIER -89.78 -24.95 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.174 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG11 HG12 ' A' ' 84' ' ' ILE . 10.0 t -70.02 -10.47 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 75.3 111.15 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -50.35 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.895 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' OD1' HG23 ' A' ' 43' ' ' VAL . 11.7 p30 -74.99 -29.84 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 73.1 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 HD22 ' A' ' 113' ' ' LEU . 73.4 t -77.36 -25.31 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 70.05 111.112 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.18 -37.5 4.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 72.1 112.497 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.1 -38.6 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 43.03 110.914 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.448 HG23 ' HZ3' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -68.79 -29.13 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 61.44 111.161 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.788 HD12 ' HG ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -70.42 -31.56 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.957 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.703 ' N ' HD23 ' A' ' 47' ' ' LEU . 13.0 ptm180 -91.04 -11.59 38.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' HZ3' HG23 ' A' ' 46' ' ' THR . 5.5 ttpm? -97.05 -14.2 21.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 64.11 110.911 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD21 HD21 ' A' ' 76' ' ' LEU . 1.4 pp -98.66 -34.81 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.943 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 73' ' ' GLN . 69.9 mt -61.22 -27.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 61.3 111.13 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.93 4.82 78.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 65.33 112.455 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -111.03 -25.3 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 72.22 110.833 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.652 ' CG2' HG13 ' A' ' 10' ' ' VAL . 3.5 t -98.2 -31.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 61.34 111.16 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' HA ' HD13 ' A' ' 58' ' ' LEU . 5.3 t70 -67.7 -14.04 62.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.24 110.903 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.21 -18.62 58.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.02 -6.19 22.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 65.22 110.905 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -48.24 -59.66 5.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 63.11 110.985 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.82 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 75.33 112.349 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 t -113.66 23.67 12.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.896 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.774 HD21 ' HB1' ' A' ' 127' ' ' ALA . 10.1 mt -115.65 158.69 41.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 74.13 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.575 ' HG3' HD13 ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.76 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 51.43 112.355 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -94.01 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 43.11 110.85 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.7 t -159.81 -53.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 73.03 110.836 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.6 p -79.33 -36.44 39.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.835 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -57.85 -45.13 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 73.24 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -61.14 -26.43 67.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.24 111.135 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -75.95 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.01 110.869 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.618 HG21 HG12 ' A' ' 54' ' ' VAL . 3.2 mt -55.97 -50.11 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 40.12 111.132 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -53.97 -26.56 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.892 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.11 -12.19 50.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 21.12 112.479 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.666 HG21 HD23 ' A' ' 120' ' ' LEU . 11.8 m -92.53 -50.31 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.724 0.297 . . . . 71.5 111.118 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.536 ' HB3' HG23 ' A' ' 51' ' ' ILE . 6.8 mm100 -62.16 -17.33 57.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.872 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -28.64 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.44 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.677 HD21 ' OD1' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -87.89 -18.36 29.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.892 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.788 ' HG ' HD12 ' A' ' 47' ' ' LEU . 6.1 tp -56.54 -38.71 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.31 110.968 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -73.04 -8.3 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.6 -13.4 22.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 42.22 110.889 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -76.81 -24.36 52.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.791 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -108.92 -3.3 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 71.54 110.897 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.04 111.128 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -90.94 -27.71 18.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 53.42 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.23 -47.94 63.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 65.44 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 80' ' ' LEU . 12.6 mt -64.83 -45.14 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.086 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.89 -41.35 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.601 ' HD3' HD23 ' A' ' 89' ' ' LEU . 1.5 tppm? -88.36 -13.05 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.907 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 tpt -70.45 -33.8 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 43.21 110.887 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -98.15 -9.82 25.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.601 HD23 ' HD3' ' A' ' 86' ' ' LYS . 27.7 tp -98.13 -31.61 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 70.13 110.928 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.96 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 63.41 111.116 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.35 -16.97 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 70.12 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -51.66 141.78 15.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.876 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.17 65.01 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.34 129.04 34.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 62.11 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.9 t -56.63 -40.37 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.155 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 t -60.29 166.52 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 70.12 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.96 31.76 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 54.13 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.67 -22.31 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 52.44 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.6 t -51.82 -30.32 22.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.85 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -70.97 -45.88 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 73.44 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -40.75 89.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 65.51 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.8 -28.26 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 72.13 111.129 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' ' 28' ' ' LEU . 2.0 tptm -60.23 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.876 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -30.54 71.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.873 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -71.53 -26.4 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.953 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.6 ttm -69.76 -55.46 9.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 33.03 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 25' ' ' LYS . 2.0 tt -56.49 -24.74 48.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 62.11 110.923 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -74.8 -23.72 58.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.163 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -93.18 -24.14 18.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.108 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.536 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.39 -55.08 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 64.02 110.838 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.69 ' O ' HG23 ' A' ' 115' ' ' VAL . 18.2 t-160 -50.88 -31.04 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 61.22 110.874 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -29.01 51.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 75.15 111.133 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.791 HD21 ' HB3' ' A' ' 80' ' ' LEU . 5.2 mp -72.26 -31.07 65.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 64.04 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.936 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -86.55 -40.2 15.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.093 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 111' ' ' HIS . 46.5 t -51.21 -35.67 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 72.45 111.132 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.677 ' OD1' HD21 ' A' ' 75' ' ' LEU . 10.0 t0 -76.54 -48.34 19.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 52.42 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.805 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -58.06 -21.9 47.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.106 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -79.58 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -62.3 -17.29 58.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.918 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.666 HD23 HG21 ' A' ' 72' ' ' THR . 3.4 tm? -82.39 -29.44 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.848 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 11' ' ' TYR . 1.1 tt -62.08 -28.97 69.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 71.5 110.949 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -83.96 -31.78 25.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.88 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.08 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 62.14 111.097 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 10' ' ' VAL . 28.8 m -88.44 -27.95 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 75.31 111.152 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -52.6 -52.21 56.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 64.25 110.858 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -67.54 -25.42 65.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.55 110.906 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.774 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -73.57 -46.32 48.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.25 111.127 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -23.89 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.5 -24.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.575 HD13 ' HG3' ' A' ' 62' ' ' PRO . 2.7 mt -70.32 -30.74 67.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.862 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.16 -47.68 71.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.106 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -58.86 -25.79 63.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.07 18.76 15.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 54.14 110.907 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.61 149.7 36.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 54.34 111.084 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.3 t60 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.888 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.762 0.315 . . . . 63.12 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -112.9 105.24 13.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 62.24 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.664 HD13 ' H ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -102.03 9.61 40.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.911 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -57.6 171.18 0.48 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 42.22 110.894 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -102.25 109.25 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 62.43 110.881 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 p -85.83 127.85 34.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.12 111.134 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -127.85 43.76 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.879 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.31 171.57 8.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.51 110.88 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -126.1 11.06 7.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.93 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.635 ' CG2' HG22 ' A' ' 54' ' ' VAL . 30.2 t -93.23 -36.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 65.42 111.102 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.29 -13.52 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 63.21 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -92.68 -47.31 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.897 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -71.65 -21.33 61.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.897 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.829 HG22 ' HB1' ' A' ' 117' ' ' ALA . 9.8 p -81.84 -27.27 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 73.12 111.142 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ttp -62.8 -53.39 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.59 -32.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.599 HD13 ' HB ' ' A' ' 46' ' ' THR . 30.6 tp -69.52 -42.01 75.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 71.05 110.901 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.774 HG13 ' HB1' ' A' ' 114' ' ' ALA . 96.8 t -72.16 -23.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 62.21 111.109 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.71 -52.27 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.29 62.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 61.22 111.077 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.592 ' HA ' HD23 ' A' ' 24' ' ' LEU . 10.6 p -81.14 -22.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.152 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.2 tt -74.66 -28.23 60.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.895 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -32.67 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.681 ' CD2' HG21 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -85.76 1.15 50.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.31 110.89 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG2' HD12 ' A' ' 107' ' ' LEU . 15.4 mtpp -99.99 -23.81 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.921 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -101.87 1.62 37.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HB3' HD11 ' A' ' 31' ' ' LEU . 29.0 mt-10 -109.23 -0.7 19.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -55.15 -37.85 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 72.03 110.923 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -107.43 45.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 53.42 110.843 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.58 -42.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.921 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -140.49 160.85 57.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 43.21 110.926 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 169.06 19.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 62.04 112.306 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.73 26.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 62.05 112.359 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.94 -27.97 34.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.704 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -97.07 -20.19 24.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 63.14 112.48 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.3 m-30 -73.78 -30.55 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 72.12 110.927 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.71 -33.76 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.55 111.096 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 35' ' ' GLY . 9.2 p -93.12 -18.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 63.41 111.101 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 35' ' ' GLY . 94.0 t -76.25 -40.24 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.42 111.152 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 36' ' ' TYR . 23.5 t -56.75 -23.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 71.41 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -52.06 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.913 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -72.84 -23.74 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 34.01 110.91 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.681 HG21 ' CD2' ' A' ' 24' ' ' LEU . 97.1 t -81.11 -22.96 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.117 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.33 -15.68 16.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 73.21 112.49 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.766 HD23 ' HD3' ' A' ' 48' ' ' ARG . 11.3 mt -82.73 -4.28 57.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.957 0.408 . . . . 64.45 110.946 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.599 ' HB ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.65 -50.91 7.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.092 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.747 HD21 HD23 ' A' ' 80' ' ' LEU . 1.5 pp -59.08 -48.52 81.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 65.32 110.948 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.766 ' HD3' HD23 ' A' ' 45' ' ' LEU . 10.2 ptm180 -64.69 -14.84 60.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 61.15 110.881 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -90.41 -30.17 17.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.841 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.53 -30.28 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 64.44 110.946 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 76' ' ' LEU . 19.3 mt -56.71 -27.55 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.133 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.78 3.92 77.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 54.35 112.471 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 p -105.7 -25.53 12.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 61.3 110.926 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.667 HG12 HD13 ' A' ' 69' ' ' ILE . 3.2 t -98.2 -22.56 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.13 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.85 -19.37 64.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.898 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.81 -19.31 60.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 71.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mp -102.44 -10.45 19.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 64.35 110.907 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 4.9 mt -47.75 -58.67 7.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 73.22 110.895 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.3 Cg_endo -69.74 -7.88 22.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 72.13 112.334 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 m -116.55 20.9 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.858 HD22 ' HB1' ' A' ' 127' ' ' ALA . 10.2 mt -114.89 159.19 38.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 72.32 110.934 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.37 24.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 71.12 112.342 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 p -75.26 -5.08 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 70.33 110.867 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.09 -23.87 19.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -112.46 -24.61 9.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 50.23 110.806 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -51.48 -54.17 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -16.68 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 62.03 111.141 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.66 -60.6 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.757 HD12 HD13 ' A' ' 61' ' ' LEU . 65.2 mt -69.91 -45.85 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.25 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.41 -21.25 59.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 63.43 110.872 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.57 -14.63 37.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 55.33 112.492 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.64 HG21 HD23 ' A' ' 120' ' ' LEU . 39.0 m -96.21 -44.31 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.324 . . . . 54.2 111.186 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.495 ' HB3' HG23 ' A' ' 51' ' ' ILE . 6.2 mm-40 -60.53 -18.59 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.14 110.943 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -40.57 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 72.23 110.891 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -79.05 -16.28 57.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.931 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 51' ' ' ILE . 2.3 tp -61.09 -25.64 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 35.03 110.911 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -92.75 4.44 53.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.848 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -105.33 -24.41 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.935 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.32 -22.98 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.838 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.757 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -107.66 -11.62 15.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.914 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.54 -38.05 80.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.076 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -84.44 -27.27 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 64.52 110.863 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 110' ' ' SER . 9.1 tp -70.07 -57.46 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 54.22 110.915 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.65 -45.13 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 72.52 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -56.63 -31.11 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -88.88 -14.27 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 74.1 110.871 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.1 tpt -72.79 -56.61 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 73.43 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -69.3 -11.74 61.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -98.12 -30.49 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.963 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.83 -49.47 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.34 111.079 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -95.62 28.24 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.979 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.726 HE22 ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -80.93 153.38 27.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.879 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -78.76 83.71 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 44.12 110.899 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.726 ' HB2' HE22 ' A' ' 92' ' ' GLN . . . -132.92 -41.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.125 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t 60.04 64.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.11 111.118 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -132.18 174.35 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.116 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -67.5 -35.64 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.853 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.22 -26.31 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -52.22 -29.95 25.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.24 -52.26 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 62.43 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -56.15 -40.29 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 65.13 110.85 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.63 -27.24 38.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 64.43 111.08 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -76.21 -28.81 57.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 71.34 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -86.53 -35.88 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 74.32 110.884 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.02 -40.15 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 63.15 110.899 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.2 ptp -62.69 -31.95 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.849 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' HG2' ' A' ' 25' ' ' LYS . 14.7 tp -79.02 -25.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.8 m -82.98 -20.68 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.31 111.177 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -92.05 -37.23 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.496 ' CB ' HD11 ' A' ' 24' ' ' LEU . 64.0 p -54.34 -51.96 63.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.41 110.862 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.675 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.4 t-160 -54.15 -31.25 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.853 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 m -56.56 -32.15 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.16 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.7 mp -68.0 -24.44 65.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.774 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -95.18 -43.12 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.03 111.067 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 111' ' ' HIS . 25.3 t -56.21 -24.38 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 75.41 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.445 ' CG ' HD11 ' A' ' 75' ' ' LEU . 34.9 m-20 -93.5 -18.93 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.829 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -76.95 -23.89 52.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 71.05 111.055 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.42 -58.68 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.921 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -56.37 -25.1 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.877 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 120' ' ' LEU . 2.4 tm? -87.25 -35.26 18.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.635 HD12 ' CG1' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -59.51 -29.7 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 61.52 110.927 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -96.29 -33.05 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.875 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.67 -33.16 45.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.078 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.47 HG11 ' HB ' ' A' ' 10' ' ' VAL . 9.5 p -74.47 -30.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.09 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.13 -32.93 74.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.863 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -90.07 -18.91 25.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.911 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.858 ' HB1' HD22 ' A' ' 61' ' ' LEU . . . -85.85 -56.19 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 71.11 111.108 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -51.67 -46.19 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.89 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.8 p -52.05 -32.13 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.13 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.1 mt -87.43 -25.37 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 62.53 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -79.74 -24.44 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 54.25 111.095 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.65 -43.46 98.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 60.24 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.13 -26.29 37.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.926 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -110.92 80.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.31 111.122 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.876 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.814 0.34 . . . . 43.15 111.068 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -140.74 135.18 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 74.13 110.912 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -120.74 81.02 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -133.36 151.1 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.826 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 mmm-85 -68.37 93.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.867 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 m -98.87 136.04 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 73.5 111.125 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -96.09 47.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.84 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -114.95 147.45 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.847 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 53' ' ' SER . 1.1 pp -117.84 -18.44 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.24 110.917 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.76 ' O ' HG13 ' A' ' 14' ' ' VAL . 6.2 p -61.95 -39.75 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 60.13 111.151 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.676 ' CB ' HD13 ' A' ' 121' ' ' LEU . 2.7 p90 -72.11 -17.2 62.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 73.21 110.922 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt -81.4 -19.05 43.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -98.85 -39.24 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.52 110.87 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 10' ' ' VAL . 18.1 m -55.71 -30.51 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.11 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.3 tpp -66.28 -43.85 85.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.848 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.51 -23.84 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.32 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.679 HD12 ' HB ' ' A' ' 46' ' ' THR . 9.1 tt -82.41 -47.39 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 14' ' ' VAL . 21.5 t -59.59 -37.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.35 111.102 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -74.6 -12.69 60.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.35 -29.15 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 35.15 111.105 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 18' ' ' VAL . 7.8 p -87.7 -21.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.161 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -74.09 -28.0 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.935 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.93 -34.13 76.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.864 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -80.2 -12.58 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.896 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -61.64 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.877 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.18 -24.44 67.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -93.53 16.68 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 51.41 110.886 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -93.02 -50.16 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.891 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -96.02 28.78 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.41 110.856 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.37 -36.66 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.623 HD13 ' OH ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -132.99 154.78 81.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 75.51 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 31' ' ' LEU . 53.9 Cg_endo -69.77 168.71 20.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 62.32 112.314 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -158.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 74.02 112.372 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 69.2 49.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 73.52 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.26 -46.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 65.41 112.526 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.759 ' O ' HG23 ' A' ' 40' ' ' VAL . 25.5 m-85 -77.86 -4.14 45.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 73.43 110.913 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.3 -16.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 73.1 111.143 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.04 -42.59 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.43 111.13 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.2 p -62.65 -19.16 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 73.35 111.155 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 36' ' ' TYR . 98.6 t -60.07 -46.58 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.087 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -43.97 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.879 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 39' ' ' VAL . 91.4 t -81.45 -23.43 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.33 111.146 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -11.71 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 75.31 112.542 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -84.99 -12.93 52.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 75.05 110.951 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.679 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -79.27 -47.07 16.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 75.24 111.113 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 17' ' ' LEU . 1.5 pp -61.78 -47.93 82.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 54.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 51' ' ' ILE . 6.4 ptm180 -68.19 -11.97 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -97.25 -25.83 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.889 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 50' ' ' LEU . 4.1 pp -97.24 -17.94 19.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 73.5 110.934 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 48' ' ' ARG . 6.3 mt -58.01 -32.09 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 63.41 111.168 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 54.12 112.47 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.764 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -59.03 -25.99 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 62.41 110.863 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.473 HG12 HG21 ' A' ' 69' ' ' ILE . 1.7 t -98.23 -14.92 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.45 111.109 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' HA ' HD12 ' A' ' 58' ' ' LEU . 47.2 m-20 -77.52 -24.49 49.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.877 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.77 -50.29 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 65.32 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -86.95 -2.07 58.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.912 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -49.53 -59.11 7.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 74.53 110.924 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 61.12 112.357 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -95.35 17.68 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.52 110.816 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.908 HD21 ' HB1' ' A' ' 127' ' ' ALA . 3.2 mp -107.69 160.79 25.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 75.34 110.897 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 178.13 4.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 64.13 112.347 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -86.51 71.31 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.85 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -175.1 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 43.15 110.85 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 m -86.64 -25.86 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 71.03 110.83 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -51.36 -43.57 61.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.53 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -63.01 -37.22 86.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 52.32 111.118 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -60.29 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.874 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.624 HD12 HD22 ' A' ' 61' ' ' LEU . 15.9 mt -59.11 -48.32 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.117 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.57 -20.9 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.02 110.919 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.49 -16.04 23.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 40.32 112.475 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.501 HG21 ' HG ' ' A' ' 120' ' ' LEU . 19.2 m -96.06 -21.91 17.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.313 . . . . 74.13 111.132 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -86.82 -11.06 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.881 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -35.86 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 72.54 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD11 ' CG ' ' A' ' 116' ' ' ASP . 1.0 OUTLIER -79.31 -17.19 55.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.891 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.448 HD23 ' HB2' ' A' ' 47' ' ' LEU . 1.7 tp -59.2 -26.92 65.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.892 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -88.37 4.74 45.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 54.22 110.912 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -108.55 -19.38 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.06 -17.19 63.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.03 110.894 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.46 -19.44 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 65.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.489 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -59.0 -34.41 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 53.31 111.089 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -86.89 -32.22 20.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.866 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.513 HD13 ' OG ' ' A' ' 110' ' ' SER . 10.6 tp -64.76 -58.87 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.15 110.93 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.632 HG12 HG11 ' A' ' 40' ' ' VAL . 13.0 mt -52.46 -50.74 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.03 111.154 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.29 -24.0 62.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -81.0 -30.13 35.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.881 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 tpp -70.29 -46.66 63.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.22 110.874 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -70.47 -15.65 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.914 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.559 HD11 HD23 ' A' ' 98' ' ' LEU . 21.1 tp -98.24 -27.18 14.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.897 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.25 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.53 111.092 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.26 -13.94 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -52.47 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.897 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 95' ' ' VAL . 9.1 m120 -51.3 -48.39 62.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.872 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 57.25 23.68 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.085 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.1 t -56.76 -23.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 70.24 111.107 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.8 t -93.23 40.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 71.21 111.161 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t 51.8 71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.879 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD23 HD11 ' A' ' 89' ' ' LEU . 16.0 tp -150.18 33.19 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.979 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -98.6 -58.86 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.881 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.27 -41.97 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.13 110.927 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -62.61 -37.15 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.96 74.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 33.33 111.116 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -61.32 -64.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 63.03 110.901 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -56.45 -26.96 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -75.64 -29.24 59.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 28' ' ' LEU . 7.7 ttm -63.49 -54.3 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.887 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.67 -23.77 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.6 m -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 60.35 111.172 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.8 -38.81 17.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 64.24 111.093 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.513 ' OG ' HD13 ' A' ' 83' ' ' LEU . 3.2 m -59.4 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.842 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 23.6 t-160 -53.53 -30.44 41.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 71.43 110.881 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m -58.54 -41.64 86.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 60.42 111.161 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.0 mp -59.32 -26.0 64.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.491 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -92.42 -42.67 9.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.123 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' HIS . 88.6 t -55.82 -35.41 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 55.15 111.178 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.663 ' CG ' HD11 ' A' ' 75' ' ' LEU . 23.8 m-20 -81.6 -12.78 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.848 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -91.85 15.33 13.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 32.1 111.088 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.488 ' NZ ' HG21 ' A' ' 18' ' ' VAL . 3.7 mptt -126.16 -51.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -26.09 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.501 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.8 OUTLIER -79.63 -37.44 36.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 54.11 110.939 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.676 HD13 ' CB ' ' A' ' 11' ' ' TYR . 6.7 tp -53.71 -37.5 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 63.41 110.911 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -71.78 -26.13 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.16 -46.88 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.31 111.106 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 10' ' ' VAL . 30.0 m -64.87 -37.09 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 62.44 111.166 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 129' ' ' VAL . 10.1 t0 -54.62 -51.39 65.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.873 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.56 -37.87 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.3 110.891 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.908 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -58.01 -45.19 87.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.31 111.119 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -62.37 -17.06 58.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.916 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 125' ' ' ASP . 40.8 t -84.85 -41.02 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.12 111.108 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.48 -36.26 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.44 -26.97 33.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 53.53 111.113 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -74.51 -50.16 19.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.881 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 43.7 mt -53.22 -29.16 30.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.87 166.52 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.25 111.116 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.2 m80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.85 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.799 0.333 . . . . 63.33 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -105.65 114.73 29.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.52 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.2 mt -130.16 59.56 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.23 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -108.02 126.78 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.877 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -143.99 114.29 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.857 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -175.08 165.98 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 71.45 111.161 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.36 29.42 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.821 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.49 67.52 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.3 110.88 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -56.35 -31.41 63.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 71.34 110.939 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' A' ' 53' ' ' SER . 19.1 m -66.46 -13.78 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.086 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -35.22 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -51.91 -29.7 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.927 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -86.67 -44.38 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.063 HG13 ' HB1' ' A' ' 117' ' ' ALA . 25.4 t -59.79 -30.82 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 64.35 111.106 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.9 ttp -71.06 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 63.25 110.891 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.65 -29.71 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.898 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.732 HD12 ' HB ' ' A' ' 46' ' ' THR . 8.7 tt -71.43 -45.85 61.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.933 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 14' ' ' VAL . 85.0 t -56.29 -24.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.17 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -85.54 -49.66 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 64.01 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.768 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.2 p -87.74 -19.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.146 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.825 HD23 ' HD3' ' A' ' 25' ' ' LYS . 2.7 mt -89.7 -28.07 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 43.2 110.912 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.71 -31.83 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.871 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 110' ' ' SER . 2.3 pp -71.47 -29.03 64.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.825 ' HD3' HD23 ' A' ' 22' ' ' LEU . 59.2 mtpt -51.47 -51.87 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.908 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -73.98 -17.84 60.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.904 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.65 -7.48 59.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD21 ' SD ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -51.71 -53.65 36.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.949 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 t -97.56 41.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.835 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -129.93 -63.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.886 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' HD2' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -97.31 159.9 30.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 72.44 110.895 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HD2' HD23 ' A' ' 31' ' ' LEU . 53.6 Cg_endo -69.73 167.51 24.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.263 . . . . 74.33 112.369 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.81 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 74.23 112.342 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.81 -17.59 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 72.35 110.884 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.78 9.43 34.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.793 -0.718 . . . . 40.23 112.461 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.33 -25.34 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.365 . . . . 74.0 110.908 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.49 -30.78 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 71.11 111.143 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.9 -22.37 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 53.3 111.116 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 43' ' ' VAL . 25.9 t -76.43 -35.81 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 54.22 111.093 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.554 HG11 ' CG1' ' A' ' 84' ' ' ILE . 18.3 t -64.61 -19.04 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.104 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -50.15 30.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.895 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -71.27 -11.21 60.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.928 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.606 HG11 HG23 ' A' ' 21' ' ' VAL . 86.1 t -96.11 -24.9 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 63.23 111.185 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.17 -11.62 27.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 72.22 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.804 HD23 ' HD3' ' A' ' 48' ' ' ARG . 16.0 mt -82.73 -17.84 42.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 74.1 110.899 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.732 ' HB ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -75.59 -48.82 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.42 111.146 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.727 HD23 HD11 ' A' ' 17' ' ' LEU . 1.8 pp -61.63 -47.54 84.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.898 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.804 ' HD3' HD23 ' A' ' 45' ' ' LEU . 8.7 ptm180 -68.62 -11.93 60.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.859 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -96.66 -21.71 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.903 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.18 -25.58 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.916 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.68 HD11 HD23 ' A' ' 76' ' ' LEU . 10.9 mt -55.73 -31.25 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.01 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.15 -10.51 73.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 45.04 112.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.797 ' HB2' HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -87.05 -29.82 21.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 62.21 110.864 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.778 HG12 HD13 ' A' ' 69' ' ' ILE . 2.5 t -86.71 -23.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 61.32 111.144 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HA ' HD23 ' A' ' 58' ' ' LEU . 27.6 t0 -72.99 -16.04 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.807 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -71.13 -15.97 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.79 -4.9 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.919 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -47.58 -58.95 6.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 65.12 110.882 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.75 -8.03 22.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 75.3 112.327 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.8 m -117.15 22.79 12.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.31 110.842 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.774 ' CD2' ' HB1' ' A' ' 127' ' ' ALA . 9.4 mt -115.69 159.35 39.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 64.22 110.959 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HG3' HD12 ' A' ' 130' ' ' LEU . 54.3 Cg_endo -69.74 176.25 7.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 75.43 112.366 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.7 m -76.47 -5.05 45.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.89 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.93 -19.09 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.41 110.878 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -112.13 -37.28 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 70.13 110.816 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -52.06 -46.68 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 71.25 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -12.92 60.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 72.45 111.188 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' HB1' ' A' ' 123' ' ' ALA . 1.3 tt0 -81.71 -56.61 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.881 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.778 HD13 HG12 ' A' ' 54' ' ' VAL . 62.9 mt -65.89 -50.56 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.22 111.166 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.756 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.1 tt0 -52.2 -29.51 22.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.907 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.44 -33.63 7.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 63.31 112.476 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.799 HG21 HD23 ' A' ' 120' ' ' LEU . 90.7 m -70.23 -53.51 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 61.25 111.165 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.27 -25.87 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 54.24 110.891 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -46.53 80.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER -75.68 -16.34 60.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.921 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD23 HD11 ' A' ' 51' ' ' ILE . 1.6 tp -58.15 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 65.52 110.869 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -90.56 4.64 50.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -107.66 -25.48 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 54.4 110.912 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -63.76 -18.28 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 45.21 110.891 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.77 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -109.49 -16.85 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 55.5 110.909 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -63.16 -34.28 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 62.24 111.048 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -86.13 -29.54 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.924 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 110' ' ' SER . 8.5 tp -68.66 -54.87 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 70.12 110.922 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.554 ' CG1' HG11 ' A' ' 40' ' ' VAL . 43.9 mt -61.07 -54.05 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.5 111.109 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.11 -47.17 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 75.04 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.65 -23.96 67.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -67.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.884 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.69 -28.42 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -81.94 -31.92 31.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.882 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.4 32.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.54 111.085 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.05 -29.66 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.897 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -55.81 110.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 74.35 110.902 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -80.69 87.44 5.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 53.35 110.869 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.47 154.85 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.091 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.39 -30.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.25 111.141 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -52.01 143.62 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.32 111.131 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.9 m -95.87 26.05 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 51.53 110.853 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.5 mt -105.22 19.49 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 62.54 110.931 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -30.61 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.34 -40.75 96.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 53.2 110.856 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -60.93 -33.27 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.896 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.13 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.131 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -70.07 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -37.06 62.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 61.24 110.893 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -71.47 -26.26 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.933 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.402 ' SD ' HD21 ' A' ' 28' ' ' LEU . 24.2 ttm -69.43 -56.74 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 64.32 110.868 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 25' ' ' LYS . 14.1 tp -59.23 -21.43 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.956 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 m -85.01 -21.64 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 73.34 111.103 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.07 -19.6 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.14 111.103 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.693 ' CB ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -76.72 -56.95 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.831 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.633 ' O ' HG23 ' A' ' 115' ' ' VAL . 5.1 t60 -50.78 -31.26 16.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 72.3 110.834 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.657 HG22 ' OD2' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -53.96 -40.92 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.172 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.4 mp -55.13 -27.19 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.938 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.768 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.1 -44.87 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 72.03 111.067 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 111' ' ' HIS . 30.4 t -56.0 -24.55 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 52.44 111.138 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.657 ' OD2' HG22 ' A' ' 112' ' ' THR . 20.2 m-20 -90.11 -21.17 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.55 110.864 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 1.063 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -81.58 -23.63 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.097 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -68.72 -57.02 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.912 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.5 -27.21 36.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.799 HD23 HG21 ' A' ' 72' ' ' THR . 3.3 tm? -79.16 -37.73 37.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.927 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.77 -28.76 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.918 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.74 -31.98 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.878 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 120' ' ' LEU . . . -66.35 -54.3 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.096 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.96 -34.39 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 53.11 111.139 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -59.45 -40.85 88.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.91 -42.14 16.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.895 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.774 ' HB1' ' CD2' ' A' ' 61' ' ' LEU . . . -57.49 -42.04 81.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 53.34 111.091 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -58.4 -21.63 51.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.31 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.7 t -86.52 -38.42 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 73.23 111.121 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.404 HD12 ' HG3' ' A' ' 62' ' ' PRO . 11.9 mt -73.75 -33.19 64.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.19 -25.25 65.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 52.14 111.117 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -58.16 -46.65 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 70.22 110.87 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 pp -53.96 -28.58 38.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 53.31 110.876 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.59 168.37 9.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 71.55 111.101 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 51.3 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 51.43 110.89 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.822 0.344 . . . . 71.01 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -131.51 117.7 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.92 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -118.24 85.78 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.897 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.26 -179.47 5.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 65.11 110.856 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.56 86.99 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.871 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.9 p -143.93 -178.32 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 55.11 111.174 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -97.8 30.81 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.844 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.14 128.21 24.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 73.12 110.882 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.4 tp -125.84 -34.77 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 64.33 110.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.645 ' CG2' HG11 ' A' ' 124' ' ' VAL . 11.0 m -65.84 -13.95 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 73.21 111.134 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -0.95 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.943 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.89 -52.17 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -67.63 -20.15 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 117' ' ' ALA . 5.5 p -84.61 -27.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 43.41 111.107 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.6 tpp -78.03 -24.23 47.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.84 -23.83 55.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.865 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -81.09 -44.3 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.887 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.543 HG13 ' HB1' ' A' ' 114' ' ' ALA . 58.8 t -53.87 -26.01 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 63.24 111.139 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -56.86 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.859 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.89 68.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.04 111.124 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.517 ' HA ' HD23 ' A' ' 24' ' ' LEU . 9.6 p -79.17 -8.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.138 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.616 HD12 ' HD3' ' A' ' 25' ' ' LYS . 43.8 tp -92.44 -26.57 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 50.24 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.87 -29.92 62.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.926 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.7 pp -79.52 -2.09 40.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.93 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' A' ' 107' ' ' LEU . 24.1 mtpt -81.1 -64.78 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.73 -23.54 63.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.77 22.02 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.879 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' HD13 ' A' ' 28' ' ' LEU . 3.2 tm? -85.49 -26.77 26.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 70.31 110.961 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -113.03 50.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.857 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.81 -42.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.1 mt -104.58 159.61 28.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 72.22 110.895 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 168.44 21.57 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 73.12 112.376 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -10.47 28.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 71.21 112.37 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -76.21 -25.24 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -87.89 -18.07 56.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 73.22 112.444 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 40' ' ' VAL . 18.1 m-85 -83.39 -40.28 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 73.13 110.919 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.1 -37.96 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.105 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -72.46 -20.78 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 71.33 111.083 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG12 HG23 ' A' ' 43' ' ' VAL . 95.4 t -90.96 -33.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 71.33 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.868 HG13 HD21 ' A' ' 83' ' ' LEU . 85.6 t -51.93 -29.19 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.03 111.16 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.05 -43.06 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.924 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.59 -28.78 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 71.23 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.611 HG23 HG12 ' A' ' 39' ' ' VAL . 70.6 t -82.78 -18.17 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 75.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.16 -16.57 14.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 74.3 112.489 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD23 ' HD3' ' A' ' 48' ' ' ARG . 10.9 mt -84.82 -3.62 58.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 73.12 110.933 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.59 -46.12 11.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 60.32 111.17 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 HD23 ' A' ' 80' ' ' LEU . 1.7 pp -63.73 -47.39 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.935 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.3 ptm180 -67.79 -12.66 61.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.867 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -97.64 -30.4 12.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.918 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 14' ' ' VAL . 3.6 pp -91.19 -19.48 23.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 51.44 110.93 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 48' ' ' ARG . 4.8 mt -54.34 -31.27 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 61.33 111.089 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.02 -19.35 73.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 74.13 112.489 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.574 ' CB ' HG12 ' A' ' 10' ' ' VAL . 36.6 p -67.45 -43.61 80.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 74.33 110.886 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG12 HG21 ' A' ' 69' ' ' ILE . 11.8 t -84.0 -32.06 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.05 111.134 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -57.15 -32.15 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 54.02 110.87 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.49 -13.85 61.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.835 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.03 -7.93 15.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 62.1 110.882 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -48.35 -58.37 8.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 73.21 110.899 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.75 -6.98 19.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 73.04 112.31 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -104.5 25.82 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.858 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 69' ' ' ILE . 1.8 mp -98.91 164.09 17.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 75.34 110.931 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.08 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 74.2 112.381 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m 72.09 8.19 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 52.11 110.867 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.4 t -110.51 -35.86 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.859 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -105.98 20.17 19.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 41.23 110.859 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' HA ' HD22 ' A' ' 61' ' ' LEU . 35.3 ttt180 -71.1 -41.93 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.872 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -54.86 -23.31 17.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 111.109 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -58.5 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 53.33 110.887 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 61' ' ' LEU . 21.2 mt -65.36 -51.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 65.1 111.115 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -29.58 18.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.04 -32.58 8.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 60.21 112.519 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.602 HG21 ' HG ' ' A' ' 120' ' ' LEU . 97.6 m -65.46 -51.71 58.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 61.25 111.134 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -60.83 -18.95 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -45.72 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 116' ' ' ASP . 4.3 pp -75.39 -18.79 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.96 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 75' ' ' LEU . 2.5 tp -59.46 -23.49 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.889 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -93.23 5.05 52.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.25 110.834 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -106.67 -23.59 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.895 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.555 ' OD1' HG22 ' A' ' 112' ' ' THR . 60.4 m-20 -65.26 -27.02 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.937 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.798 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -100.66 -14.97 17.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.905 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -58.45 -60.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.2 111.081 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -68.17 -19.89 64.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.868 HD21 HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -78.44 -32.87 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.894 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.748 HG13 HD23 ' A' ' 83' ' ' LEU . 22.3 mt -78.98 -28.2 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 50.34 111.133 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.43 -52.25 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 71.43 110.905 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 4.3 tppt? -66.03 -22.36 66.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 55.31 110.937 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.517 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 4.6 tpt -64.94 -51.2 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.864 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -76.23 -14.05 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 71.02 110.854 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.7 tp -97.98 -7.71 29.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.927 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.42 -5.55 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 55.24 111.095 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -120.48 -8.56 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.54 110.89 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.86 161.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 64.25 110.922 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -100.39 78.09 2.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.9 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.89 133.99 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.115 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -55.88 -25.19 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.1 111.114 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -51.67 141.48 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.159 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -96.84 26.17 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 75.53 110.899 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.11 20.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -27.02 52.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 63.35 110.824 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.57 -25.83 63.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.856 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.35 -43.88 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.897 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.452 ' HB1' ' HG3' ' A' ' 86' ' ' LYS . . . -58.37 -24.96 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.32 111.1 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -64.08 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.899 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -52.36 -43.22 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.881 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.28 -29.4 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 53.01 110.942 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 25.9 ttm -65.32 -46.17 81.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.857 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 25' ' ' LYS . 13.3 tp -61.38 -31.57 71.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 73.12 110.939 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.0 m -62.23 -20.97 64.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 51.43 111.181 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -96.42 -24.71 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 62.4 111.127 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.643 ' OG ' HD12 ' A' ' 107' ' ' LEU . 70.7 p -65.58 -49.2 69.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.914 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -58.81 -20.74 52.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.03 110.848 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' ' 79' ' ' ASP . 6.3 m -66.9 -28.63 68.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.153 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 80' ' ' LEU . 4.2 mp -72.03 -24.52 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 53.51 110.887 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.543 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.23 -43.67 7.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 61.22 111.091 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 112' ' ' THR . 3.1 p -57.03 -26.84 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 72.13 111.14 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.476 ' CG ' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -91.88 -10.63 38.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.905 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 14' ' ' VAL . . . -91.5 -8.38 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.118 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -49.81 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.965 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -52.49 -34.4 49.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 65.14 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.602 ' HG ' HG21 ' A' ' 72' ' ' THR . 0.6 OUTLIER -67.11 -42.1 85.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 61.44 110.955 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.76 -42.88 62.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.895 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -79.54 -33.66 41.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 44.32 110.865 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.82 -58.13 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 62.35 111.102 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.645 HG11 ' CG2' ' A' ' 10' ' ' VAL . 11.1 p -66.83 -25.27 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 65.34 111.12 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.98 -48.46 78.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.844 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.65 -36.77 23.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 61' ' ' LEU . . . -60.32 -43.05 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 70.11 111.115 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -61.83 -33.41 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 64.23 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.91 -36.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 43.1 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 133' ' ' LEU . 51.5 mt -67.9 -23.48 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 63.1 110.909 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.37 -60.17 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.106 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -56.64 -46.51 80.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.874 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 130' ' ' LEU . 88.0 mt -52.91 -29.33 27.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 71.15 110.943 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.19 158.13 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.077 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.9 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 70.0 110.852 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.831 0.348 . . . . 74.23 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -52.17 156.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 63.54 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.8 25.98 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -84.44 111.46 19.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 72.14 110.84 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -152.58 144.9 23.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.898 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.532 HG23 ' OD2' ' A' ' 7' ' ' ASP . 8.8 t -111.62 165.3 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 61.12 111.152 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.532 ' OD2' HG23 ' A' ' 6' ' ' THR . 1.4 m-20 56.08 25.27 8.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.831 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -93.36 77.42 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 9' ' ' LEU . 7.3 tp -83.26 -35.82 25.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 65.12 110.926 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.626 HG23 HD13 ' A' ' 50' ' ' LEU . 3.7 p -69.74 -29.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 74.23 111.126 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -79.92 -20.92 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.928 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 mt -86.72 -20.82 27.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.83 -18.78 17.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.664 ' CG2' ' HB1' ' A' ' 117' ' ' ALA . 5.3 p -85.99 -27.07 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 53.51 111.127 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.1 ttm -73.05 -20.41 60.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 70.53 110.837 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.83 -18.01 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 74.25 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.7 HD13 ' OG1' ' A' ' 46' ' ' THR . 49.8 tp -87.42 -48.54 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 74.13 110.881 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' A' ' 114' ' ' ALA . 24.3 t -58.71 -20.89 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.1 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -88.16 -16.66 32.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.839 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.12 -18.46 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 61.4 111.113 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.727 HG11 ' HB2' ' A' ' 114' ' ' ALA . 9.0 p -92.96 -21.32 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 73.43 111.109 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -90.35 -27.91 19.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.904 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.25 -23.87 62.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 61.02 110.895 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD23 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pp -79.15 -30.38 43.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.913 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -50.92 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 64.04 110.909 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.73 -24.05 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.924 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.75 -8.81 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.885 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.7 tm? -54.95 -43.9 73.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 53.45 110.916 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 p -105.4 35.09 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.11 110.887 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.501 HE22 HD23 ' A' ' 31' ' ' LEU . 1.5 tm0? -131.91 -39.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.941 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD23 HE22 ' A' ' 30' ' ' GLN . 1.0 OUTLIER -126.7 158.4 68.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.721 . . . . 74.42 110.885 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.84 17.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 74.02 112.372 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -31.42 20.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 75.42 112.418 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -49.83 -34.42 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.898 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.717 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -82.2 -30.31 34.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 75.51 112.52 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.754 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -56.79 -38.16 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 73.42 110.895 -179.817 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.448 ' N ' ' HE1' ' A' ' 87' ' ' MET . 0.3 OUTLIER -64.07 -25.03 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 70.02 111.123 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.5 t -91.57 -16.04 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.096 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 35' ' ' GLY . 22.0 t -90.18 -35.12 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 44.41 111.127 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 36' ' ' TYR . 58.6 t -59.48 -19.6 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 55.33 111.154 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -51.68 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 63.22 110.901 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -72.01 -18.42 61.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 55.33 110.917 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.645 ' O ' HD11 ' A' ' 17' ' ' LEU . 59.9 t -94.56 -19.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 52.12 111.09 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.42 -13.86 21.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 34.14 112.502 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.771 HD23 ' HD3' ' A' ' 48' ' ' ARG . 15.4 mt -85.29 -21.85 28.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 61.14 110.907 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.7 ' OG1' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.42 -49.46 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.13 111.088 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 48' ' ' ARG . 1.6 pp -58.53 -47.58 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.15 110.915 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.771 ' HD3' HD23 ' A' ' 45' ' ' LEU . 7.1 ptm180 -70.87 -9.21 57.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 63.11 110.886 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -97.29 -25.95 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 64.52 110.908 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.626 HD13 HG23 ' A' ' 10' ' ' VAL . 2.3 pp -93.89 -24.52 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.938 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 48' ' ' ARG . 12.8 mt -55.25 -30.73 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.123 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.39 -15.89 75.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 72.5 112.531 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' HD12 ' A' ' 57' ' ' LEU . 10.4 m -86.38 -22.28 26.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.389 . . . . 73.43 110.872 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.537 HG12 HG21 ' A' ' 69' ' ' ILE . 2.5 t -98.82 -47.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 42.32 111.132 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' HA ' HD23 ' A' ' 58' ' ' LEU . 2.6 t70 -56.85 -33.71 67.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 63.41 110.891 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -15.21 60.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.863 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 53' ' ' SER . 17.8 mt -101.44 10.53 40.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 71.11 110.907 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.33 -58.47 8.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 55.33 110.927 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.74 -6.77 19.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 75.03 112.356 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -90.64 -6.1 55.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 53.04 110.877 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.712 ' HB3' ' HB1' ' A' ' 127' ' ' ALA . 0.4 OUTLIER -129.08 159.64 67.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 74.54 110.906 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 61' ' ' LEU . 54.0 Cg_endo -69.77 157.58 59.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 60.13 112.325 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -53.17 -34.34 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 71.23 110.833 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -51.57 -29.33 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 63.35 110.847 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -102.87 -19.69 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.903 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -63.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 73.11 110.919 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -29.63 15.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 61.04 111.135 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.34 -57.62 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.537 HG21 HG12 ' A' ' 54' ' ' VAL . 7.2 mt -61.38 -57.0 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.133 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -54.19 -25.51 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.95 -12.55 55.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.721 . . . . 45.35 112.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 75' ' ' LEU . 83.8 m -96.21 -49.6 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.719 0.295 . . . . 61.54 111.158 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -59.32 -27.53 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.54 110.913 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -42.87 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -77.04 -16.94 59.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.954 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 51' ' ' ILE . 1.9 tp -57.8 -34.24 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 52.23 110.962 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -85.89 4.8 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.908 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -106.92 -20.45 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.919 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' OD1' HG22 ' A' ' 112' ' ' THR . 78.8 m-20 -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.13 110.877 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.823 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -106.61 -16.64 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.945 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.542 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -60.35 -27.63 67.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 63.41 111.14 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.79 -30.22 13.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.876 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 110' ' ' SER . 6.2 tp -67.9 -35.0 77.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.53 110.864 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.75 ' CG1' HG11 ' A' ' 40' ' ' VAL . 48.3 mt -83.16 -34.89 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.091 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.32 -21.27 58.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.854 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -86.45 -37.26 18.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.915 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.448 ' HE1' ' N ' ' A' ' 37' ' ' VAL . 7.6 ptm -67.44 -29.72 69.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.83 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -85.66 -18.27 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 72.54 110.875 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 tp -98.06 -19.3 18.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.934 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.63 -47.96 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.44 111.12 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -55.31 -26.09 38.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 73.23 110.937 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.6 133.95 30.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.28 75.33 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.05 110.877 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 144.95 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 75.35 111.1 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.57 43.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.142 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -153.58 168.41 26.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.12 111.138 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -91.49 47.16 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.833 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.4 tp -105.73 -25.81 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 74.13 110.957 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.7 t -52.46 -33.29 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.877 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -52.3 -41.13 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.856 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -74.15 -34.36 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.936 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.52 -3.96 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 54.21 111.086 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -40.24 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.837 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -22.44 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 74.55 110.919 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.21 -25.26 62.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.941 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.0 ptm -77.06 -32.04 56.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.04 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tt -79.02 -22.93 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.923 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.5 m -74.53 -21.27 59.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 74.54 111.177 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.19 -34.11 26.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.02 111.106 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 83' ' ' LEU . 94.2 p -56.34 -55.16 36.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.854 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.13 -28.31 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 64.12 110.836 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.415 HG22 ' OD1' ' A' ' 79' ' ' ASP . 2.4 m -57.05 -24.32 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 64.42 111.124 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 80' ' ' LEU . 6.1 mp -79.43 -21.9 44.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.727 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -96.04 -42.61 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 65.55 111.07 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.91 -29.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 63.15 111.149 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.679 ' CG ' HD11 ' A' ' 75' ' ' LEU . 2.0 t0 -82.36 -31.81 29.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HB1' ' CG2' ' A' ' 14' ' ' VAL . . . -66.75 -29.33 69.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.077 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -76.04 -45.68 33.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -63.66 -28.41 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.911 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -42.39 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.882 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.59 -30.41 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.03 110.96 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.54 -29.96 19.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 60.33 110.879 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.4 -54.49 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 51.52 111.066 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 10' ' ' VAL . 11.1 p -66.47 -29.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.34 111.107 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 129' ' ' VAL . 4.0 t70 -51.85 -55.57 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.896 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.25 -33.18 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 62.12 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.712 ' HB1' ' HB3' ' A' ' 61' ' ' LEU . . . -61.99 -46.85 87.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.02 111.121 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -66.88 -21.24 66.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 52.53 110.877 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 125' ' ' ASP . 93.3 t -86.96 -38.34 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.32 111.1 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.82 -22.49 42.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.56 -30.21 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.1 111.086 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -55.08 -46.82 75.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 62.04 110.873 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pp -56.76 -28.11 60.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.95 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.9 131.53 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 42.11 111.114 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.881 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.798 0.332 . . . . 65.04 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 62.27 48.85 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.9 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.91 32.23 4.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.03 110.967 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.96 73.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.866 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -87.43 82.94 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 65.43 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.96 97.89 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 63.31 111.161 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -100.88 52.22 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.865 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.23 124.49 26.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 63.33 110.816 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -59.66 -21.45 60.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.5 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.751 HG21 HG11 ' A' ' 124' ' ' VAL . 85.7 t -58.76 -41.92 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 71.42 111.161 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.68 -18.03 57.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.877 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 11' ' ' TYR . 2.4 mm? -74.15 -18.58 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -100.19 -46.12 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.14 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.757 ' HB ' ' HB1' ' A' ' 117' ' ' ALA . 9.7 m -51.48 -29.73 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 52.11 111.143 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ttm -66.02 -47.05 75.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -52.21 -29.49 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.888 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.893 HD11 HD23 ' A' ' 47' ' ' LEU . 8.4 tt -81.06 -51.18 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.87 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.598 HG13 ' HB1' ' A' ' 114' ' ' ALA . 62.3 t -55.71 -23.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.31 111.152 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -82.9 -55.56 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' ND2' ' A' ' 42' ' ' ASN . . . -51.35 -40.4 59.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.09 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 17' ' ' LEU . 5.4 p -74.64 -27.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.109 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -31.81 73.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.934 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.9 -45.36 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.931 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -74.74 -9.53 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.912 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 107' ' ' LEU . 3.8 mmmt -84.63 -24.22 29.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.902 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -111.33 -28.76 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.901 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -87.92 0.48 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.585 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -51.7 -38.56 55.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.898 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -100.23 42.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.836 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.741 ' HB3' HD23 ' A' ' 31' ' ' LEU . 2.1 tp-100 -130.62 -61.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.921 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.741 HD23 ' HB3' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -112.25 159.96 31.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 73.42 110.882 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 168.08 22.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 71.14 112.327 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.22 31.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 52.2 112.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.32 -26.53 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.07 -1.37 54.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 33.22 112.481 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -98.57 -24.81 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 75.31 110.908 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 p -54.33 -26.0 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 73.12 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 p -93.04 -22.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 64.51 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 43' ' ' VAL . 82.8 t -74.08 -39.21 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.135 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.55 -24.51 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 61.43 111.09 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.49 -54.22 35.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.885 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.556 ' ND2' ' HB1' ' A' ' 20' ' ' ALA . 1.8 p-10 -70.09 -17.28 63.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 51.12 110.91 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.847 HG12 HD22 ' A' ' 113' ' ' LEU . 57.8 t -82.5 -29.03 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.176 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.53 -9.46 31.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 53.33 112.453 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.809 HD23 ' HD3' ' A' ' 48' ' ' ARG . 8.7 mt -84.84 -19.56 32.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 64.31 110.925 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.621 ' HB ' HD12 ' A' ' 17' ' ' LEU . 3.9 m -69.31 -51.85 33.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.112 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.893 HD23 HD11 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 40.03 110.936 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.809 ' HD3' HD23 ' A' ' 45' ' ' LEU . 6.9 ptm180 -65.17 -13.94 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.875 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -92.28 -30.58 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.887 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 50' ' ' LEU . 1.5 pp -90.46 -25.85 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 62.54 110.945 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 48' ' ' ARG . 14.6 mt -55.79 -30.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.093 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.03 -8.56 64.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 30.31 112.473 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.7 p -91.35 -33.16 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 73.33 110.894 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.64 HG12 HG21 ' A' ' 69' ' ' ILE . 12.8 t -92.5 -29.13 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 70.23 111.086 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -55.69 -30.7 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 55.05 110.846 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -79.01 -25.52 43.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.845 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD23 HD11 ' A' ' 61' ' ' LEU . 2.9 tp -86.02 -14.05 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.89 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt -50.71 -60.39 5.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 75.35 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.74 -9.45 26.15 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 2.269 . . . . 72.41 112.326 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t -98.47 2.27 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 44.14 110.862 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.692 HD21 ' HB1' ' A' ' 127' ' ' ALA . 1.5 mp -98.78 160.22 28.41 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 75.34 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.604 ' CG ' HD13 ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.7 -170.62 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 72.2 112.361 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.1 p -97.7 53.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.829 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.8 t -152.86 -46.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -102.03 21.88 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 54.14 110.881 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -86.78 -43.25 12.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 73.13 110.847 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -62.52 -30.3 71.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.126 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.56 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.855 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.674 HD12 HD22 ' A' ' 61' ' ' LEU . 17.6 mt -62.12 -53.19 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.14 111.192 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.81 -27.76 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 43.22 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -97.48 -9.15 55.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 75.22 112.448 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 1.014 HG21 HD13 ' A' ' 120' ' ' LEU . 44.9 m -96.07 -52.18 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 45.12 111.129 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -57.86 -23.1 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -40.89 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.922 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -78.83 -15.75 57.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.935 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.4 -21.79 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.925 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -97.24 4.42 50.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.57 -23.37 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.894 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.457 ' OD1' HG22 ' A' ' 112' ' ' THR . 88.0 m-20 -66.65 -20.3 65.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 60.21 110.885 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -108.38 -14.44 14.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.904 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -56.36 -33.38 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 60.3 111.124 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -88.72 -29.18 20.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.877 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 110' ' ' SER . 7.3 tp -68.95 -57.95 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.3 mt -52.86 -36.77 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 61.32 111.166 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.37 -40.67 97.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.901 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -78.7 -16.84 56.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 74.14 110.88 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.23 -51.3 25.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.07 -13.44 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.892 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.8 tp -98.04 -20.51 17.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 70.41 110.937 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.65 -41.94 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.082 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.05 28.71 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 63.24 110.876 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 156.63 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -79.26 75.25 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.908 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.61 156.62 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.081 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 p -104.21 -26.02 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 63.03 111.126 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.1 t -58.41 163.24 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.14 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.6 m -97.87 27.61 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 72.34 110.867 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 98' ' ' LEU . 2.2 tt -80.63 -24.98 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 m -52.14 -30.06 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -51.97 -45.0 64.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -59.87 -45.5 92.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 54.44 110.864 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.83 -26.66 68.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.117 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -62.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -60.07 -41.52 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.887 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -63.22 -25.08 68.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.899 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.5 ttp -68.62 -59.15 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.858 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 25' ' ' LYS . 1.2 tt -57.2 -24.18 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.876 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -68.72 -19.83 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.52 111.114 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.66 -31.28 13.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.42 111.128 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.744 ' HA ' HD22 ' A' ' 83' ' ' LEU . 84.9 p -60.16 -51.27 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.857 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -55.31 -25.98 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.925 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.457 HG22 ' OD1' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -61.83 -20.22 63.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.33 111.134 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.847 HD22 HG12 ' A' ' 43' ' ' VAL . 5.3 mp -81.09 -24.68 37.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 74.22 110.939 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.598 ' HB1' HG13 ' A' ' 18' ' ' VAL . . . -96.08 -39.64 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 63.0 111.095 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.86 -29.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 50.01 111.163 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.748 ' CG ' HD11 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -85.03 -44.41 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.898 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.757 ' HB1' ' HB ' ' A' ' 14' ' ' VAL . . . -57.14 -22.86 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 55.34 111.094 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 121' ' ' LEU . 6.9 tptp -73.37 -65.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.867 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -64.18 -22.37 66.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 60.34 110.896 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 1.014 HD13 HG21 ' A' ' 72' ' ' THR . 12.9 tp -72.28 -33.02 67.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 64.44 110.969 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -66.64 -26.48 67.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 62.03 110.93 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.06 -50.07 13.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.91 -31.0 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.104 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 10' ' ' VAL . 91.3 t -86.68 -37.77 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 53.13 111.114 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -53.69 -51.03 64.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.837 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -71.59 -34.48 69.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 71.22 110.896 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.703 ' HA ' HD12 ' A' ' 130' ' ' LEU . . . -61.39 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.077 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -25.1 59.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 90.7 t -82.59 -35.17 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 61.54 111.128 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 127' ' ' ALA . 4.4 mt -55.05 -34.16 63.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 62.52 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.92 -53.53 56.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 32.31 111.091 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -56.52 -41.43 76.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.902 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.32 -27.44 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.13 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -100.95 95.08 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 51.42 111.086 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.9 m170 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.867 179.971 . . . . . . . . 0 0 . 1 stop_ save_